1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine

C18H29NO2 — CID 106201082

IUPAC1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC)c(COCCC2CCC2)c1
InChIInChI=1S/C18H29NO2/c1-4-19-14(2)16-8-9-18(20-3)17(12-16)13-21-11-10-15-6-5-7-15/h8-9,12,14-15,19H,4-7,10-11,13H2,1-3H3
InChIKeyVJNGKUKCKMYDAP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds9

About 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine

1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine (PubChem CID 106201082) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
PubChem CID106201082
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC)c(COCCC2CCC2)c1
InChIInChI=1S/C18H29NO2/c1-4-19-14(2)16-8-9-18(20-3)17(12-16)13-21-11-10-15-6-5-7-15/h8-9,12,14-15,19H,4-7,10-11,13H2,1-3H3
InChIKeyVJNGKUKCKMYDAP-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-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

1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
2-[5-[1-(2-cyclobutylethylamino)ethyl]-2-methoxyphenyl]acetonitrile
CID 166200213
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
N-ethyl-2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]ethanamine
CID 82353953
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
CID 81036797
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
1-[3-(3,3-dimethylbutoxymethyl)-4-methoxyphenyl]-N-methylethanamine
CID 66232006

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine (CID 106201082) is 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC)c(COCCC2CCC2)c1.
What is the InChIKey of 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine?
The InChIKey is VJNGKUKCKMYDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-14(2)16-8-9-18(20-3)17(12-16)13-21-11-10-15-6-5-7-15/h8-9,12,14-15,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine?
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 106201082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).