1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol

C17H20ClNO — CID 81379444

IUPAC1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(15-10-6-7-11-16(15)18)19-12-17(2,20)14-8-4-3-5-9-14/h3-11,13,19-20H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGFXJSPRYTIERCG-CWQZNGJJSA-N
MW289.81 g/mol
LogP3.90
Rot. Bonds5

About 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol

1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol (PubChem CID 81379444) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
PubChem CID81379444
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(15-10-6-7-11-16(15)18)19-12-17(2,20)14-8-4-3-5-9-14/h3-11,13,19-20H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGFXJSPRYTIERCG-CWQZNGJJSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62373504
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941041
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol (CID 81379444) is 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol is C[C@H](NCC(C)(O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol?
The InChIKey is GFXJSPRYTIERCG-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(15-10-6-7-11-16(15)18)19-12-17(2,20)14-8-4-3-5-9-14/h3-11,13,19-20H,12H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol?
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol has a molecular weight of 289.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 81379444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).