2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine

C19H31N — CID 142899731

IUPAC2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine
SMILESCCC1CCCCC1(CCNC)c1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-5-17-8-6-7-11-19(17,12-13-20-4)18-14-15(2)9-10-16(18)3/h9-10,14,17,20H,5-8,11-13H2,1-4H3
InChIKeyMOYLYMSLQWKNMF-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.75
Rot. Bonds5

About 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine

2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine (PubChem CID 142899731) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine
PubChem CID142899731
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine
SMILESCCC1CCCCC1(CCNC)c1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-5-17-8-6-7-11-19(17,12-13-20-4)18-14-15(2)9-10-16(18)3/h9-10,14,17,20H,5-8,11-13H2,1-4H3
InChIKeyMOYLYMSLQWKNMF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine 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-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine (CID 142899731) is 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine is CCC1CCCCC1(CCNC)c1cc(C)ccc1C.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine?
The InChIKey is MOYLYMSLQWKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-17-8-6-7-11-19(17,12-13-20-4)18-14-15(2)9-10-16(18)3/h9-10,14,17,20H,5-8,11-13H2,1-4H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine?
2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine is sourced from PubChem (CID 142899731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).