3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine

C20H26FNO3 — CID 112538999

IUPAC3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cc(F)ccc2OC)c1OCC
InChIInChI=1S/C20H26FNO3/c1-4-24-19-8-6-7-14(20(19)25-5-2)11-15(13-22)17-12-16(21)9-10-18(17)23-3/h6-10,12,15H,4-5,11,13,22H2,1-3H3
InChIKeyOYJRDRFBDKFXOQ-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.92
Rot. Bonds9

About 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine

3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 112538999) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID112538999
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cc(F)ccc2OC)c1OCC
InChIInChI=1S/C20H26FNO3/c1-4-24-19-8-6-7-14(20(19)25-5-2)11-15(13-22)17-12-16(21)9-10-18(17)23-3/h6-10,12,15H,4-5,11,13,22H2,1-3H3
InChIKeyOYJRDRFBDKFXOQ-UHFFFAOYSA-N
XLogP3.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-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

3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 112539017
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 112538999) is 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine is CCOc1cccc(CC(CN)c2cc(F)ccc2OC)c1OCC.
What is the InChIKey of 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is OYJRDRFBDKFXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-4-24-19-8-6-7-14(20(19)25-5-2)11-15(13-22)17-12-16(21)9-10-18(17)23-3/h6-10,12,15H,4-5,11,13,22H2,1-3H3.
What are the key properties of 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 347.43 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 112538999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).