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

C17H20FNO2 — CID 82141160

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)c2cc(F)ccc2OC)c1
InChIInChI=1S/C17H20FNO2/c1-20-15-5-3-4-12(9-15)8-13(11-19)16-10-14(18)6-7-17(16)21-2/h3-7,9-10,13H,8,11,19H2,1-2H3
InChIKeyAJFXXECMCLJSOQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.13
Rot. Bonds6

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

2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 82141160) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
PubChem CID82141160
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)c2cc(F)ccc2OC)c1
InChIInChI=1S/C17H20FNO2/c1-20-15-5-3-4-12(9-15)8-13(11-19)16-10-14(18)6-7-17(16)21-2/h3-7,9-10,13H,8,11,19H2,1-2H3
InChIKeyAJFXXECMCLJSOQ-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-amino-2-(5-fluoro-2-methoxyphenyl)propyl]benzonitrile
CID 82140996
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
[1-(2-fluoro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205201
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine (CID 82141160) is 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine is COc1cccc(CC(CN)c2cc(F)ccc2OC)c1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is AJFXXECMCLJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-15-5-3-4-12(9-15)8-13(11-19)16-10-14(18)6-7-17(16)21-2/h3-7,9-10,13H,8,11,19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine?
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82141160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).