(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol

C17H20ClNO — CID 102613868

IUPAC(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CO)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(16-9-5-6-10-17(16)18)19-15(12-20)11-14-7-3-2-4-8-14/h2-10,13,15,19-20H,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyJZZVLJMQUMGMGH-WUJWULDRSA-N
MW289.81 g/mol
LogP3.59
Rot. Bonds6

About (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol

(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 102613868) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID102613868
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CO)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(16-9-5-6-10-17(16)18)19-15(12-20)11-14-7-3-2-4-8-14/h2-10,13,15,19-20H,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyJZZVLJMQUMGMGH-WUJWULDRSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856
(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol (CID 102613868) is (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol is CC(N[C@H](CO)Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is JZZVLJMQUMGMGH-WUJWULDRSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(16-9-5-6-10-17(16)18)19-15(12-20)11-14-7-3-2-4-8-14/h2-10,13,15,19-20H,11-12H2,1H3/t13?,15-/m0/s1.
What are the key properties of (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102613868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).