N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C17H27NO2 — CID 107191388

IUPACN-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cccc1OC)C1CCCC1C
InChIInChI=1S/C17H27NO2/c1-5-18-17(13-9-6-8-12(13)2)16-14(19-3)10-7-11-15(16)20-4/h7,10-13,17-18H,5-6,8-9H2,1-4H3
InChIKeyZKOQFPBVUCJVTF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.79
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107191388) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107191388
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cccc1OC)C1CCCC1C
InChIInChI=1S/C17H27NO2/c1-5-18-17(13-9-6-8-12(13)2)16-14(19-3)10-7-11-15(16)20-4/h7,10-13,17-18H,5-6,8-9H2,1-4H3
InChIKeyZKOQFPBVUCJVTF-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine 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

N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
[(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234975
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107191388) is N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1c(OC)cccc1OC)C1CCCC1C.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is ZKOQFPBVUCJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18-17(13-9-6-8-12(13)2)16-14(19-3)10-7-11-15(16)20-4/h7,10-13,17-18H,5-6,8-9H2,1-4H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).