4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C23H24Cl2N2 — CID 154612128

IUPAC4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)21-9-5-16(6-10-21)23(18-13-19(24)15-20(25)14-18)17-7-11-22(12-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyINKOXAFMYRPSLH-UHFFFAOYSA-N
MW399.37 g/mol
LogP6.31
Rot. Bonds5

About 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 154612128) has the molecular formula C23H24Cl2N2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID154612128
Molecular FormulaC23H24Cl2N2
Molecular Weight399.37 g/mol
Exact Mass398.13
IUPAC Name4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)21-9-5-16(6-10-21)23(18-13-19(24)15-20(25)14-18)17-7-11-22(12-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyINKOXAFMYRPSLH-UHFFFAOYSA-N
XLogP6.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 54336392
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
3-[bis[4-(dimethylamino)phenyl]methyl]aniline;ethane
CID 142155282
[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide
CID 158176107
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 70462536
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 154612128) is 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is INKOXAFMYRPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2/c1-26(2)21-9-5-16(6-10-21)23(18-13-19(24)15-20(25)14-18)17-7-11-22(12-8-17)27(3)4/h5-15,23H,1-4H3.
What are the key properties of 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 399.37 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 154612128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).