1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine

C15H25NO2 — CID 78991182

IUPAC1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-10-16-15(9-11-17-3)13-7-6-8-14(12-13)18-5-2/h6-8,12,15-16H,4-5,9-11H2,1-3H3
InChIKeyKGJDULXACDWZLH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds9

About 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine

1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 78991182) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID78991182
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-10-16-15(9-11-17-3)13-7-6-8-14(12-13)18-5-2/h6-8,12,15-16H,4-5,9-11H2,1-3H3
InChIKeyKGJDULXACDWZLH-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-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)-4-methoxy-N-propylpentan-1-amine
CID 105173198
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine (CID 78991182) is 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is KGJDULXACDWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-16-15(9-11-17-3)13-7-6-8-14(12-13)18-5-2/h6-8,12,15-16H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 78991182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).