1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine

C18H23N — CID 105145357

IUPAC1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)12-15(17)3/h4-8,10,12,18H,9,11,19H2,1-3H3
InChIKeyNSVPMMBQLZQPQY-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.24
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine

1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 105145357) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID105145357
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)12-15(17)3/h4-8,10,12,18H,9,11,19H2,1-3H3
InChIKeyNSVPMMBQLZQPQY-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine 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

(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(3-bromo-2-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 106647676
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine (CID 105145357) is 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CCC(N)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is NSVPMMBQLZQPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)12-15(17)3/h4-8,10,12,18H,9,11,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine?
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105145357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).