2-(3,4-dimethylphenyl)-N-methylpentan-3-amine

C14H23N — CID 79307170

IUPAC2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23N/c1-6-14(15-5)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14-15H,6H2,1-5H3
InChIKeyBILLWJUBWMQQHK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine

2-(3,4-dimethylphenyl)-N-methylpentan-3-amine (PubChem CID 79307170) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
PubChem CID79307170
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23N/c1-6-14(15-5)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14-15H,6H2,1-5H3
InChIKeyBILLWJUBWMQQHK-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylphenyl)-N-methylpentan-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

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
2-(3-bromophenyl)-N-methylpentan-3-amine
CID 79307668
2-(3,4-dimethylphenyl)sulfanyl-N-methylpentan-3-amine
CID 64650723
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine (CID 79307170) is 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine is CCC(NC)C(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine?
The InChIKey is BILLWJUBWMQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-14(15-5)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14-15H,6H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine?
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-methylpentan-3-amine is sourced from PubChem (CID 79307170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).