1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine

C15H14F3N — CID 114931874

IUPAC1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F3N/c16-11-4-1-3-10(7-11)8-12(19)9-13-14(17)5-2-6-15(13)18/h1-7,12H,8-9,19H2
InChIKeyMSKOJJOBRACVTF-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine

1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine (PubChem CID 114931874) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
PubChem CID114931874
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F3N/c16-11-4-1-3-10(7-11)8-12(19)9-13-14(17)5-2-6-15(13)18/h1-7,12H,8-9,19H2
InChIKeyMSKOJJOBRACVTF-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 65018067
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine (CID 114931874) is 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is MSKOJJOBRACVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-11-4-1-3-10(7-11)8-12(19)9-13-14(17)5-2-6-15(13)18/h1-7,12H,8-9,19H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine?
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114931874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).