1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride

C22H19Cl3F3NO — CID 138111629

IUPAC1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2F3NO.ClH/c23-19-8-4-16(5-9-19)21(29,17-6-10-20(24)11-7-17)14-28-13-15-2-1-3-18(12-15)22(25,26)27;/h1-12,28-29H,13-14H2;1H
InChIKeyZADUYKXVJYLICW-UHFFFAOYSA-N
MW476.75 g/mol
LogP6.46
Rot. Bonds6

About 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride

1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride (PubChem CID 138111629) has the molecular formula C22H19Cl3F3NO and a molecular weight of 476.75 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
PubChem CID138111629
Molecular FormulaC22H19Cl3F3NO
Molecular Weight476.75 g/mol
Exact Mass475.05
IUPAC Name1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2F3NO.ClH/c23-19-8-4-16(5-9-19)21(29,17-6-10-20(24)11-7-17)14-28-13-15-2-1-3-18(12-15)22(25,26)27;/h1-12,28-29H,13-14H2;1H
InChIKeyZADUYKXVJYLICW-UHFFFAOYSA-N
XLogP6.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 83232273
2-methylidene-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66045680
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride (CID 138111629) is 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride is Cl.OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride?
The InChIKey is ZADUYKXVJYLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3NO.ClH/c23-19-8-4-16(5-9-19)21(29,17-6-10-20(24)11-7-17)14-28-13-15-2-1-3-18(12-15)22(25,26)27;/h1-12,28-29H,13-14H2;1H.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride?
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride has a molecular weight of 476.75 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 138111629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).