2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine

C15H25N — CID 79298168

IUPAC2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
SMILESCc1cc(C)c(C(C)C(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-9(2)15(16)13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,16H2,1-6H3
InChIKeyJIRPYQFSJQYMTI-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine

2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine (PubChem CID 79298168) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
PubChem CID79298168
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
SMILESCc1cc(C)c(C(C)C(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-9(2)15(16)13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,16H2,1-6H3
InChIKeyJIRPYQFSJQYMTI-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-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

chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
CID 139403949
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 116948064
3-methyl-2-(2,4,6-trimethylphenyl)butanethioamide
CID 82083484
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82303464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine?
The IUPAC name of 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine (CID 79298168) is 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine?
The canonical SMILES for 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine is Cc1cc(C)c(C(C)C(N)C(C)C)c(C)c1.
What is the InChIKey of 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine?
The InChIKey is JIRPYQFSJQYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-9(2)15(16)13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,16H2,1-6H3.
What are the key properties of 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine?
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine is sourced from PubChem (CID 79298168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).