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

C16H18ClNO — CID 6612703

IUPAC(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c17-16-9-5-4-8-14(16)11-18-15(12-19)10-13-6-2-1-3-7-13/h1-9,15,18-19H,10-12H2/t15-/m0/s1
InChIKeyNAJJYZHIRBRRPC-HNNXBMFYSA-N
MW275.78 g/mol
LogP3.03
Rot. Bonds6

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

(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 6612703) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID6612703
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c17-16-9-5-4-8-14(16)11-18-15(12-19)10-13-6-2-1-3-7-13/h1-9,15,18-19H,10-12H2/t15-/m0/s1
InChIKeyNAJJYZHIRBRRPC-HNNXBMFYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 103793106
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol (CID 6612703) is (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is NAJJYZHIRBRRPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-16-9-5-4-8-14(16)11-18-15(12-19)10-13-6-2-1-3-7-13/h1-9,15,18-19H,10-12H2/t15-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 6612703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).