(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium

C21H20Cl2NO+ — CID 7091495

IUPAC(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium
SMILESOC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19Cl2NO/c22-19-12-11-16(13-20(19)23)14-24-15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,24-25H,14-15H2/p+1
InChIKeyQSRJFDLGXIEFAD-UHFFFAOYSA-O
MW373.30 g/mol
LogP3.99
Rot. Bonds6

About (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium

(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium (PubChem CID 7091495) has the molecular formula C21H20Cl2NO+ and a molecular weight of 373.30 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium
PubChem CID7091495
Molecular FormulaC21H20Cl2NO+
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium
SMILESOC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19Cl2NO/c22-19-12-11-16(13-20(19)23)14-24-15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,24-25H,14-15H2/p+1
InChIKeyQSRJFDLGXIEFAD-UHFFFAOYSA-O
XLogP3.99
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
CID 7097563
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 7394464
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
CID 70518240
3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium (CID 7091495) is (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium is OC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium?
The InChIKey is QSRJFDLGXIEFAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19Cl2NO/c22-19-12-11-16(13-20(19)23)14-24-15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,24-25H,14-15H2/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium?
(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium has a molecular weight of 373.30 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium is sourced from PubChem (CID 7091495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).