N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine

C16H23NO2 — CID 43767433

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
SMILESCC(NCc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)17-10-13-7-8-15-16(9-13)19-11-18-15/h7-9,12,14,17H,2-6,10-11H2,1H3
InChIKeyJLDDOEHAAHTMOH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.47
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine

N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine (PubChem CID 43767433) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
PubChem CID43767433
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
SMILESCC(NCc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)17-10-13-7-8-15-16(9-13)19-11-18-15/h7-9,12,14,17H,2-6,10-11H2,1H3
InChIKeyJLDDOEHAAHTMOH-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine 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

6-[[[(1S)-1-cycloheptylethyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 81391191
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine (CID 43767433) is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine is CC(NCc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine?
The InChIKey is JLDDOEHAAHTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)17-10-13-7-8-15-16(9-13)19-11-18-15/h7-9,12,14,17H,2-6,10-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine is sourced from PubChem (CID 43767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).