2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine

C15H14F3N — CID 83973740

IUPAC2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3N/c16-13-3-1-2-10(7-13)6-12(9-19)11-4-5-14(17)15(18)8-11/h1-5,7-8,12H,6,9,19H2
InChIKeyCIJZQGPNUFCCJB-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.39
Rot. Bonds4

About 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine

2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 83973740) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
PubChem CID83973740
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3N/c16-13-3-1-2-10(7-13)6-12(9-19)11-4-5-14(17)15(18)8-11/h1-5,7-8,12H,6,9,19H2
InChIKeyCIJZQGPNUFCCJB-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)propan-1-amine
CID 82140472
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine (CID 83973740) is 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is CIJZQGPNUFCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-13-3-1-2-10(7-13)6-12(9-19)11-4-5-14(17)15(18)8-11/h1-5,7-8,12H,6,9,19H2.
What are the key properties of 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine?
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83973740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).