2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol

C21H20ClNO — CID 2768826

IUPAC2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
SMILESOC(CNCc1ccccc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClNO/c22-20-14-8-7-9-17(20)15-23-16-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,23-24H,15-16H2
InChIKeyDFZXKIIRJNEGDX-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.37
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol

2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol (PubChem CID 2768826) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
PubChem CID2768826
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
SMILESOC(CNCc1ccccc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClNO/c22-20-14-8-7-9-17(20)15-23-16-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,23-24H,15-16H2
InChIKeyDFZXKIIRJNEGDX-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
N-[(2-chlorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 56764248
N-[(2-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
CID 3724836
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63451747
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604460
(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
CID 7097563

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol (CID 2768826) is 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol is OC(CNCc1ccccc1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol?
The InChIKey is DFZXKIIRJNEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-20-14-8-7-9-17(20)15-23-16-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,23-24H,15-16H2.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol?
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol has a molecular weight of 337.85 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol is sourced from PubChem (CID 2768826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).