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

C18H22FNO2 — CID 83973555

IUPAC2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(OC)c2)cc1F
InChIInChI=1S/C18H22FNO2/c1-3-22-18-8-7-14(11-17(18)19)15(12-20)9-13-5-4-6-16(10-13)21-2/h4-8,10-11,15H,3,9,12,20H2,1-2H3
InChIKeyFNVZCWFOFAGKNS-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.52
Rot. Bonds7

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

2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 83973555) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
PubChem CID83973555
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(OC)c2)cc1F
InChIInChI=1S/C18H22FNO2/c1-3-22-18-8-7-14(11-17(18)19)15(12-20)9-13-5-4-6-16(10-13)21-2/h4-8,10-11,15H,3,9,12,20H2,1-2H3
InChIKeyFNVZCWFOFAGKNS-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine (CID 83973555) is 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2cccc(OC)c2)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is FNVZCWFOFAGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-22-18-8-7-14(11-17(18)19)15(12-20)9-13-5-4-6-16(10-13)21-2/h4-8,10-11,15H,3,9,12,20H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine?
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).