3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

C20H23FN2O2 — CID 83976577

IUPAC3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2c[nH]c3ccc(F)cc23)c1OC
InChIInChI=1S/C20H23FN2O2/c1-3-25-19-6-4-5-13(20(19)24-2)9-14(11-22)17-12-23-18-8-7-15(21)10-16(17)18/h4-8,10,12,14,23H,3,9,11,22H2,1-2H3
InChIKeyKAFHNQCUUAOTKD-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.00
Rot. Bonds7

About 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 83976577) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID83976577
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2c[nH]c3ccc(F)cc23)c1OC
InChIInChI=1S/C20H23FN2O2/c1-3-25-19-6-4-5-13(20(19)24-2)9-14(11-22)17-12-23-18-8-7-15(21)10-16(17)18/h4-8,10,12,14,23H,3,9,11,22H2,1-2H3
InChIKeyKAFHNQCUUAOTKD-UHFFFAOYSA-N
XLogP4.00
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (CID 83976577) is 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is CCOc1cccc(CC(CN)c2c[nH]c3ccc(F)cc23)c1OC.
What is the InChIKey of 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is KAFHNQCUUAOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-25-19-6-4-5-13(20(19)24-2)9-14(11-22)17-12-23-18-8-7-15(21)10-16(17)18/h4-8,10,12,14,23H,3,9,11,22H2,1-2H3.
What are the key properties of 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 342.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).