2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine

C19H25N — CID 63496149

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25N/c1-14-5-8-17(9-6-14)11-18(13-20)12-19-10-15(2)4-7-16(19)3/h4-10,18H,11-13,20H2,1-3H3
InChIKeyRBXDZDAXHLMQHH-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.97
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine

2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine (PubChem CID 63496149) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
PubChem CID63496149
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25N/c1-14-5-8-17(9-6-14)11-18(13-20)12-19-10-15(2)4-7-16(19)3/h4-10,18H,11-13,20H2,1-3H3
InChIKeyRBXDZDAXHLMQHH-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,5-dimethylphenyl)methyl]-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

3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine
CID 138750181
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine (CID 63496149) is 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)Cc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The InChIKey is RBXDZDAXHLMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14-5-8-17(9-6-14)11-18(13-20)12-19-10-15(2)4-7-16(19)3/h4-10,18H,11-13,20H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 63496149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).