2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

C15H25N — CID 62595719

IUPAC2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3
InChIKeyFHJJPECCZMYODE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 62595719) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID62595719
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3
InChIKeyFHJJPECCZMYODE-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (CID 62595719) is 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is FHJJPECCZMYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 62595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).