AA14288
114365-04-7 | [4-(1-Pyrrolidinyl)phenyl]methanamine
Manufacturer: A2B Chem
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CatalogNumber
AA14288
ChemicalName
[4-(1-Pyrrolidinyl)phenyl]methanamine
CasNumber
114365-04-7
MolecularFormula
C11H16N2
MolecularWeight
176.2581
MdlNumber
MFCD08002614
Smiles
NCc1ccc(cc1)N1CCCC1
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AA14288
ChemicalName: [4-(1-Pyrrolidinyl)phenyl]methanamine
CasNumber: 114365-04-7
MolecularFormula: C11H16N2
MolecularWeight: 176.2581
MdlNumber: MFCD08002614
Smiles: NCc1ccc(cc1)N1CCCC1
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA14288
ChemicalName:
[4-(1-Pyrrolidinyl)phenyl]methanamine
CasNumber:
114365-04-7
MolecularFormula:
C11H16N2
MolecularWeight:
176.2581
MdlNumber:
MFCD08002614
Smiles:
NCc1ccc(cc1)N1CCCC1
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: Cc1ccc(cc1)S(=O)(=O)NCCn1ccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc(cc1)S(=O)(=O)NCCn1ccc2c1cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CNCCOC(C)C
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Smiles:
CNCCOC(C)C
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(Cc1ccccc1)CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)C(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(Cc1ccccc1)CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)C(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__