N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline

C17H21N — CID 116925902

IUPACN-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCNc1cccc(Cc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C17H21N/c1-12-8-14(3)16(9-13(12)2)10-15-6-5-7-17(11-15)18-4/h5-9,11,18H,10H2,1-4H3
InChIKeyGMJCUPPXWAVURY-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.24
Rot. Bonds3

About N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline

N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 116925902) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID116925902
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCNc1cccc(Cc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C17H21N/c1-12-8-14(3)16(9-13(12)2)10-15-6-5-7-17(11-15)18-4/h5-9,11,18H,10H2,1-4H3
InChIKeyGMJCUPPXWAVURY-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline 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

3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212078
3-(bromomethyl)-N-methylaniline
CID 147410245
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
3-(methoxymethyl)-N-methylaniline
CID 23080905
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
N-methyl-3-(methylperoxymethyl)aniline
CID 20699956
2-amino-5-[[3-(methylamino)phenyl]methyl]benzenethiol
CID 116998399
3-[(5-bromothiophen-2-yl)methyl]-N-methylaniline
CID 116925874

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline (CID 116925902) is N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline is CNc1cccc(Cc2cc(C)c(C)cc2C)c1.
What is the InChIKey of N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is GMJCUPPXWAVURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-8-14(3)16(9-13(12)2)10-15-6-5-7-17(11-15)18-4/h5-9,11,18H,10H2,1-4H3.
What are the key properties of N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline?
N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 116925902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).