3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine

C20H27NO3 — CID 83972590

IUPAC3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cccc(OC)c2)cc1OCC
InChIInChI=1S/C20H27NO3/c1-4-23-19-10-9-15(12-20(19)24-5-2)11-17(14-21)16-7-6-8-18(13-16)22-3/h6-10,12-13,17H,4-5,11,14,21H2,1-3H3
InChIKeyIORBMXDNJXPJSR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.78
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine

3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine (PubChem CID 83972590) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
PubChem CID83972590
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cccc(OC)c2)cc1OCC
InChIInChI=1S/C20H27NO3/c1-4-23-19-10-9-15(12-20(19)24-5-2)11-17(14-21)16-7-6-8-18(13-16)22-3/h6-10,12-13,17H,4-5,11,14,21H2,1-3H3
InChIKeyIORBMXDNJXPJSR-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-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

2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine (CID 83972590) is 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2cccc(OC)c2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine?
The InChIKey is IORBMXDNJXPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-23-19-10-9-15(12-20(19)24-5-2)11-17(14-21)16-7-6-8-18(13-16)22-3/h6-10,12-13,17H,4-5,11,14,21H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine?
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).