3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline

C15H17ClN2 — CID 115212134

IUPAC3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1cccc(CN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2/c1-17-14-5-3-4-12(10-14)11-18(2)15-8-6-13(16)7-9-15/h3-10,17H,11H2,1-2H3
InChIKeyQORSLYQOZYDBNA-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.02
Rot. Bonds4

About 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline

3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline (PubChem CID 115212134) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
PubChem CID115212134
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1cccc(CN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2/c1-17-14-5-3-4-12(10-14)11-18(2)15-8-6-13(16)7-9-15/h3-10,17H,11H2,1-2H3
InChIKeyQORSLYQOZYDBNA-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline 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-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide
CID 143248637
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-methyl-N-[[3-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212150
3-(bromomethyl)-N-methylaniline
CID 147410245
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
3-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212240
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 117028923
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
CID 50852257

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline?
The IUPAC name of 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline (CID 115212134) is 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline is CNc1cccc(CN(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline?
The InChIKey is QORSLYQOZYDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-17-14-5-3-4-12(10-14)11-18(2)15-8-6-13(16)7-9-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline?
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline has a molecular weight of 260.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline is sourced from PubChem (CID 115212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).