(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

C22H22ClNO2 — CID 27153591

IUPAC(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1ccccc1OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H22ClNO2/c23-20-12-6-4-11-19(20)16-26-22-13-7-5-10-18(22)14-24-15-21(25)17-8-2-1-3-9-17/h1-13,21,24-25H,14-16H2/t21-/m0/s1
InChIKeyMCUIDBVFNHZYAR-NRFANRHFSA-N
MW367.88 g/mol
LogP4.74
Rot. Bonds8

About (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (PubChem CID 27153591) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
PubChem CID27153591
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1ccccc1OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H22ClNO2/c23-20-12-6-4-11-19(20)16-26-22-13-7-5-10-18(22)14-24-15-21(25)17-8-2-1-3-9-17/h1-13,21,24-25H,14-16H2/t21-/m0/s1
InChIKeyMCUIDBVFNHZYAR-NRFANRHFSA-N
XLogP4.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol with MolForge

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Related Compounds

1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720604
(1S)-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 51988676
(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989098

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (CID 27153591) is (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is O[C@@H](CNCc1ccccc1OCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The InChIKey is MCUIDBVFNHZYAR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22ClNO2/c23-20-12-6-4-11-19(20)16-26-22-13-7-5-10-18(22)14-24-15-21(25)17-8-2-1-3-9-17/h1-13,21,24-25H,14-16H2/t21-/m0/s1.
What are the key properties of (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol has a molecular weight of 367.88 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 27153591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).