1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride

C21H20Cl3NO — CID 75176308

IUPAC1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2NO.ClH/c22-19-11-9-18(10-12-19)21(25,17-6-2-1-3-7-17)15-24-14-16-5-4-8-20(23)13-16;/h1-13,24-25H,14-15H2;1H
InChIKeyDRBNTZFIAJTNMT-UHFFFAOYSA-N
MW408.76 g/mol
LogP5.44
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride

1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 75176308) has the molecular formula C21H20Cl3NO and a molecular weight of 408.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID75176308
Molecular FormulaC21H20Cl3NO
Molecular Weight408.76 g/mol
Exact Mass407.06
IUPAC Name1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2NO.ClH/c22-19-11-9-18(10-12-19)21(25,17-6-2-1-3-7-17)15-24-14-16-5-4-8-20(23)13-16;/h1-13,24-25H,14-15H2;1H
InChIKeyDRBNTZFIAJTNMT-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
CID 62059723
(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 7222054
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride (CID 75176308) is 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride is Cl.OC(CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is DRBNTZFIAJTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO.ClH/c22-19-11-9-18(10-12-19)21(25,17-6-2-1-3-7-17)15-24-14-16-5-4-8-20(23)13-16;/h1-13,24-25H,14-15H2;1H.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 408.76 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 75176308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).