(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol

C16H18ClNO2 — CID 29223950

IUPAC(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3/t15-/m1/s1
InChIKeyRGEKSGSRGHLZBH-OAHLLOKOSA-N
MW291.78 g/mol
LogP3.17
Rot. Bonds6

About (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol

(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 29223950) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
PubChem CID29223950
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3/t15-/m1/s1
InChIKeyRGEKSGSRGHLZBH-OAHLLOKOSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol with MolForge

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 65021628

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol (CID 29223950) is (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol is COc1ccc(CNC[C@@H](O)c2ccccc2)cc1Cl.
What is the InChIKey of (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is RGEKSGSRGHLZBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol?
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 291.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 29223950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).