2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine

C20H26FNO3 — CID 112538879

IUPAC2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(OC)c2OCC)cc1F
InChIInChI=1S/C20H26FNO3/c1-4-24-18-10-9-14(12-17(18)21)16(13-22)11-15-7-6-8-19(23-3)20(15)25-5-2/h6-10,12,16H,4-5,11,13,22H2,1-3H3
InChIKeySYKVCXZGMPUSLW-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.92
Rot. Bonds9

About 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine

2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine (PubChem CID 112538879) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
PubChem CID112538879
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(OC)c2OCC)cc1F
InChIInChI=1S/C20H26FNO3/c1-4-24-18-10-9-14(12-17(18)21)16(13-22)11-15-7-6-8-19(23-3)20(15)25-5-2/h6-10,12,16H,4-5,11,13,22H2,1-3H3
InChIKeySYKVCXZGMPUSLW-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

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine (CID 112538879) is 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2cccc(OC)c2OCC)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine?
The InChIKey is SYKVCXZGMPUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-4-24-18-10-9-14(12-17(18)21)16(13-22)11-15-7-6-8-19(23-3)20(15)25-5-2/h6-10,12,16H,4-5,11,13,22H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine?
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-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 2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 112538879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).