1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine

C16H17F2NO — CID 43561440

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17F2NO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyBTVZNUKXQYGHKV-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 43561440) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID43561440
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17F2NO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyBTVZNUKXQYGHKV-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
1-(2-bromo-3,4-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107539154
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 43561440) is 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is BTVZNUKXQYGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43561440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).