N-[(2,3-dimethylphenyl)methyl]-2-methylaniline

C16H19N — CID 54944772

IUPACN-[(2,3-dimethylphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cccc(C)c1C
InChIInChI=1S/C16H19N/c1-12-8-6-9-15(14(12)3)11-17-16-10-5-4-7-13(16)2/h4-10,17H,11H2,1-3H3
InChIKeyVMZYLXCIUMEKTL-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.22
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]-2-methylaniline

N-[(2,3-dimethylphenyl)methyl]-2-methylaniline (PubChem CID 54944772) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-methylaniline
PubChem CID54944772
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cccc(C)c1C
InChIInChI=1S/C16H19N/c1-12-8-6-9-15(14(12)3)11-17-16-10-5-4-7-13(16)2/h4-10,17H,11H2,1-3H3
InChIKeyVMZYLXCIUMEKTL-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,3-dimethylphenyl)methyl]-2-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

N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63446574
2-[(2,3-dimethylanilino)methyl]benzonitrile
CID 28585691
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylaniline (CID 54944772) is N-[(2,3-dimethylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-methylaniline?
The InChIKey is VMZYLXCIUMEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-8-6-9-15(14(12)3)11-17-16-10-5-4-7-13(16)2/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-methylaniline?
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 54944772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).