3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

C16H16F3N — CID 114933725

IUPAC3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3N/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3
InChIKeyFSPQXKFFNLLKNM-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.65
Rot. Bonds5

About 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 114933725) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID114933725
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3N/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3
InChIKeyFSPQXKFFNLLKNM-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
3-(4-fluorophenyl)-4-(methylamino)butanal
CID 59011239
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
CID 18354439
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (CID 114933725) is 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1c(F)cccc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is FSPQXKFFNLLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114933725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).