2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline

C21H19Cl2N — CID 23161679

IUPAC2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N/c1-24(2)20-6-4-3-5-19(20)21(15-7-11-17(22)12-8-15)16-9-13-18(23)14-10-16/h3-14,21H,1-2H3
InChIKeyVWMLDCGXLIZJJA-UHFFFAOYSA-N
MW356.30 g/mol
LogP6.24
Rot. Bonds4

About 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline

2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline (PubChem CID 23161679) has the molecular formula C21H19Cl2N and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline
PubChem CID23161679
Molecular FormulaC21H19Cl2N
Molecular Weight356.30 g/mol
Exact Mass355.09
IUPAC Name2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N/c1-24(2)20-6-4-3-5-19(20)21(15-7-11-17(22)12-8-15)16-9-13-18(23)14-10-16/h3-14,21H,1-2H3
InChIKeyVWMLDCGXLIZJJA-UHFFFAOYSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
1-benzhydryl-4-chlorobenzene
CID 13050205
2-(dibromomethyl)-N,N-dimethylaniline
CID 56618314
2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
CID 53425877
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
CID 102231510
1-[2-[1-(4-chlorophenyl)ethyl]phenyl]ethanamine
CID 143284996
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
1-benzhydryl-2-chlorobenzene;methane
CID 159179204

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline (CID 23161679) is 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline is CN(C)c1ccccc1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline?
The InChIKey is VWMLDCGXLIZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N/c1-24(2)20-6-4-3-5-19(20)21(15-7-11-17(22)12-8-15)16-9-13-18(23)14-10-16/h3-14,21H,1-2H3.
What are the key properties of 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline?
2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline has a molecular weight of 356.30 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 23161679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).