2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine

C18H29NO2 — CID 82924006

IUPAC2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNCC(c1ccc(OC)c(OC)c1)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-13-16(14-8-6-5-7-9-14)15-10-11-17(20-2)18(12-15)21-3/h10-12,14,16,19H,4-9,13H2,1-3H3
InChIKeyIPTPFYCUEHYVCU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds7

About 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine

2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine (PubChem CID 82924006) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
PubChem CID82924006
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNCC(c1ccc(OC)c(OC)c1)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-13-16(14-8-6-5-7-9-14)15-10-11-17(20-2)18(12-15)21-3/h10-12,14,16,19H,4-9,13H2,1-3H3
InChIKeyIPTPFYCUEHYVCU-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine 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

2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 154247141
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
4-[bromo(cyclobutyl)methyl]-1,2-dimethoxybenzene
CID 61085730

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine (CID 82924006) is 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine is CCNCC(c1ccc(OC)c(OC)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The InChIKey is IPTPFYCUEHYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-13-16(14-8-6-5-7-9-14)15-10-11-17(20-2)18(12-15)21-3/h10-12,14,16,19H,4-9,13H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine?
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 82924006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).