1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine

C17H29NO2 — CID 105173198

IUPAC1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cccc(OCC)c1
InChIInChI=1S/C17H29NO2/c1-5-12-18-17(11-10-14(3)19-4)15-8-7-9-16(13-15)20-6-2/h7-9,13-14,17-18H,5-6,10-12H2,1-4H3
InChIKeyUEODMOGWCBYSJO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds10

About 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine

1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105173198) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105173198
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cccc(OCC)c1
InChIInChI=1S/C17H29NO2/c1-5-12-18-17(11-10-14(3)19-4)15-8-7-9-16(13-15)20-6-2/h7-9,13-14,17-18H,5-6,10-12H2,1-4H3
InChIKeyUEODMOGWCBYSJO-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine 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-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
1-(3-ethoxyphenyl)-4-methoxypentan-1-ol
CID 105119501
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine (CID 105173198) is 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is UEODMOGWCBYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-12-18-17(11-10-14(3)19-4)15-8-7-9-16(13-15)20-6-2/h7-9,13-14,17-18H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine?
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105173198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).