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

C16H17F2NO — CID 83973647

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2NO/c1-20-16-6-5-12(9-15(16)18)13(10-19)7-11-3-2-4-14(17)8-11/h2-6,8-9,13H,7,10,19H2,1H3
InChIKeyVRLWPPMBALSVNX-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.26
Rot. Bonds5

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

2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 83973647) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
PubChem CID83973647
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2NO/c1-20-16-6-5-12(9-15(16)18)13(10-19)7-11-3-2-4-14(17)8-11/h2-6,8-9,13H,7,10,19H2,1H3
InChIKeyVRLWPPMBALSVNX-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83975700
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
[1-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105192122
2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)propan-1-amine
CID 82140472

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine (CID 83973647) is 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine is COc1ccc(C(CN)Cc2cccc(F)c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is VRLWPPMBALSVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-20-16-6-5-12(9-15(16)18)13(10-19)7-11-3-2-4-14(17)8-11/h2-6,8-9,13H,7,10,19H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine?
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83973647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).