3-[(2,4-dimethylphenyl)methyl]-N-methylaniline

C16H19N — CID 116925863

IUPAC3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2ccc(C)cc2C)c1
InChIInChI=1S/C16H19N/c1-12-7-8-15(13(2)9-12)10-14-5-4-6-16(11-14)17-3/h4-9,11,17H,10H2,1-3H3
InChIKeyZRDGAJZAVFUFLI-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.94
Rot. Bonds3

About 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline

3-[(2,4-dimethylphenyl)methyl]-N-methylaniline (PubChem CID 116925863) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
PubChem CID116925863
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2ccc(C)cc2C)c1
InChIInChI=1S/C16H19N/c1-12-7-8-15(13(2)9-12)10-14-5-4-6-16(11-14)17-3/h4-9,11,17H,10H2,1-3H3
InChIKeyZRDGAJZAVFUFLI-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
CID 91007722
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
3-(bromomethyl)-N-methylaniline
CID 147410245
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212798
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
3-(methoxymethyl)-N-methylaniline
CID 23080905
2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212078
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline (CID 116925863) is 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline is CNc1cccc(Cc2ccc(C)cc2C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline?
The InChIKey is ZRDGAJZAVFUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-7-8-15(13(2)9-12)10-14-5-4-6-16(11-14)17-3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline?
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline has a molecular weight of 225.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116925863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).