N-(1-cyclopentylethyl)-3,5-dimethoxyaniline

C15H23NO2 — CID 62632607

IUPACN-(1-cyclopentylethyl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)C2CCCC2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(12-6-4-5-7-12)16-13-8-14(17-2)10-15(9-13)18-3/h8-12,16H,4-7H2,1-3H3
InChIKeyYFRQGMYFHISOKX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds5

About N-(1-cyclopentylethyl)-3,5-dimethoxyaniline

N-(1-cyclopentylethyl)-3,5-dimethoxyaniline (PubChem CID 62632607) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3,5-dimethoxyaniline
PubChem CID62632607
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-cyclopentylethyl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)C2CCCC2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(12-6-4-5-7-12)16-13-8-14(17-2)10-15(9-13)18-3/h8-12,16H,4-7H2,1-3H3
InChIKeyYFRQGMYFHISOKX-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopentylethyl)-3,5-dimethoxyaniline 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-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-(dicyclopropylmethyl)-3,5-dimethoxyaniline
CID 43173321
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 82858001
N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
CID 28531809
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
N-(1-cyclopentylethyl)-2-phenylpyrimidin-5-amine
CID 62633534

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3,5-dimethoxyaniline?
The IUPAC name of N-(1-cyclopentylethyl)-3,5-dimethoxyaniline (CID 62632607) is N-(1-cyclopentylethyl)-3,5-dimethoxyaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-3,5-dimethoxyaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-3,5-dimethoxyaniline is COc1cc(NC(C)C2CCCC2)cc(OC)c1.
What is the InChIKey of N-(1-cyclopentylethyl)-3,5-dimethoxyaniline?
The InChIKey is YFRQGMYFHISOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(12-6-4-5-7-12)16-13-8-14(17-2)10-15(9-13)18-3/h8-12,16H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-3,5-dimethoxyaniline?
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3,5-dimethoxyaniline is sourced from PubChem (CID 62632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).