1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine

C15H14F3N — CID 114872751

IUPAC1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-15(19,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9H,2,19H2,1H3
InChIKeyJBBUZUNWGGLHEI-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.72
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine

1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114872751) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID114872751
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-15(19,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9H,2,19H2,1H3
InChIKeyJBBUZUNWGGLHEI-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
CID 114872694
1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872809
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115940849

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine (CID 114872751) is 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine is CCC(N)(c1cccc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is JBBUZUNWGGLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-15(19,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9H,2,19H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine?
1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114872751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).