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

C18H24N2 — CID 115212798

IUPAC4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H24N2/c1-14-5-8-17(15(2)11-14)13-20(4)12-16-6-9-18(19-3)10-7-16/h5-11,19H,12-13H2,1-4H3
InChIKeyYLAZDRKLQUCPGI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.98
Rot. Bonds5

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

4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline (PubChem CID 115212798) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
PubChem CID115212798
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H24N2/c1-14-5-8-17(15(2)11-14)13-20(4)12-16-6-9-18(19-3)10-7-16/h5-11,19H,12-13H2,1-4H3
InChIKeyYLAZDRKLQUCPGI-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[(2,4-dimethylphenyl)methyl-methylamino]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-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
3-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 114485374
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
CID 58536659
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088505

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline?
The IUPAC name of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline (CID 115212798) is 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline.
What is the SMILES notation for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline?
The canonical SMILES for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline is CNc1ccc(CN(C)Cc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline?
The InChIKey is YLAZDRKLQUCPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-5-8-17(15(2)11-14)13-20(4)12-16-6-9-18(19-3)10-7-16/h5-11,19H,12-13H2,1-4H3.
What are the key properties of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline?
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline is sourced from PubChem (CID 115212798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).