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

C15H16ClNO — CID 55111786

IUPAC2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyFIUKRUAMBGXMFT-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.94
Rot. Bonds4

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

2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol (PubChem CID 55111786) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
PubChem CID55111786
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyFIUKRUAMBGXMFT-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
CID 107690995
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
benzyl 4-[(1S,2R)-2-amino-1-hydroxy-3-phenylpropyl]benzoate
CID 101113286
(2R,3S)-3-amino-1-[(4-chlorophenyl)methylamino]-4-phenylbutan-2-ol
CID 68609022
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol (CID 55111786) is 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol is NC(Cc1ccccc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol?
The InChIKey is FIUKRUAMBGXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2.
What are the key properties of 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol?
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol has a molecular weight of 261.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 55111786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).