1-(2,4-dimethylphenyl)-3-methylhexan-1-amine

C15H25N — CID 115845282

IUPAC1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-6-11(2)10-15(16)14-8-7-12(3)9-13(14)4/h7-9,11,15H,5-6,10,16H2,1-4H3
InChIKeyGIDMLDMQXBYERJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine

1-(2,4-dimethylphenyl)-3-methylhexan-1-amine (PubChem CID 115845282) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
PubChem CID115845282
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-6-11(2)10-15(16)14-8-7-12(3)9-13(14)4/h7-9,11,15H,5-6,10,16H2,1-4H3
InChIKeyGIDMLDMQXBYERJ-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dimethylphenyl)-3-methylhexan-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

1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine (CID 115845282) is 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine?
The InChIKey is GIDMLDMQXBYERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-11(2)10-15(16)14-8-7-12(3)9-13(14)4/h7-9,11,15H,5-6,10,16H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-methylhexan-1-amine?
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.13, 5 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-methylhexan-1-amine is sourced from PubChem (CID 115845282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).