1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C13H16ClN3 — CID 106857664

IUPAC1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(C)cc1Cl)c1nccn1C
InChIInChI=1S/C13H16ClN3/c1-9-4-5-10(11(14)8-9)12(15-2)13-16-6-7-17(13)3/h4-8,12,15H,1-3H3
InChIKeyXMYMSJMYWHCLQC-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 106857664) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID106857664
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(C)cc1Cl)c1nccn1C
InChIInChI=1S/C13H16ClN3/c1-9-4-5-10(11(14)8-9)12(15-2)13-16-6-7-17(13)3/h4-8,12,15H,1-3H3
InChIKeyXMYMSJMYWHCLQC-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine 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

1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63976228
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149645
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530544
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 106857664) is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1ccc(C)cc1Cl)c1nccn1C.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is XMYMSJMYWHCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-4-5-10(11(14)8-9)12(15-2)13-16-6-7-17(13)3/h4-8,12,15H,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 106857664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).