3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol

C15H16ClNO — CID 82090652

IUPAC3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyAALGJJMFZOTXOD-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol

3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol (PubChem CID 82090652) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
PubChem CID82090652
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyAALGJJMFZOTXOD-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82094931
3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol
CID 20572924
2,2-bis(4-chlorophenyl)ethanamine
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3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol
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1-chloro-4-(2-methyl-1-phenylpropyl)benzene
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2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
1-benzhydryl-4-chlorobenzene
CID 13050205
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol (CID 82090652) is 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol is NCC(O)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol?
The InChIKey is AALGJJMFZOTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2.
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol?
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol has a molecular weight of 261.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 82090652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).