N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine

C15H25N — CID 116964332

IUPACN,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCNCC(c1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C15H25N/c1-10(2)15(9-16-6)14-8-12(4)11(3)7-13(14)5/h7-8,10,15-16H,9H2,1-6H3
InChIKeyJRLIFFYTGLSRRW-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.57
Rot. Bonds4

About N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine

N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 116964332) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID116964332
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCNCC(c1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C15H25N/c1-10(2)15(9-16-6)14-8-12(4)11(3)7-13(14)5/h7-8,10,15-16H,9H2,1-6H3
InChIKeyJRLIFFYTGLSRRW-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-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

2-(5-bromo-2-methylphenyl)-N,3-dimethylbutan-1-amine
CID 116964369
N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 82082953
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
N-methyl-2-pyridin-4-yl-2-(2,4,5-trimethylphenyl)ethanamine
CID 116824934
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
CID 83831442

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine (CID 116964332) is N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine is CNCC(c1cc(C)c(C)cc1C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is JRLIFFYTGLSRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)15(9-16-6)14-8-12(4)11(3)7-13(14)5/h7-8,10,15-16H,9H2,1-6H3.
What are the key properties of N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine?
N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 116964332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).