(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol

C17H20ClNO2 — CID 7319732

IUPAC(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
SMILESCOc1ccc(CCNC[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-21-17-8-7-13(11-15(17)18)9-10-19-12-16(20)14-5-3-2-4-6-14/h2-8,11,16,19-20H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyLCMIMDHMUFQBMC-INIZCTEOSA-N
MW305.81 g/mol
LogP3.21
Rot. Bonds7

About (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol

(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol (PubChem CID 7319732) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
PubChem CID7319732
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
SMILESCOc1ccc(CCNC[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-21-17-8-7-13(11-15(17)18)9-10-19-12-16(20)14-5-3-2-4-6-14/h2-8,11,16,19-20H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyLCMIMDHMUFQBMC-INIZCTEOSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 162972119
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methoxyphenyl]benzoic acid
CID 24822972
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 65021628

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol (CID 7319732) is (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol is COc1ccc(CCNC[C@H](O)c2ccccc2)cc1Cl.
What is the InChIKey of (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol?
The InChIKey is LCMIMDHMUFQBMC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-21-17-8-7-13(11-15(17)18)9-10-19-12-16(20)14-5-3-2-4-6-14/h2-8,11,16,19-20H,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol?
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol has a molecular weight of 305.81 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 7319732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).