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

C15H14F3N — CID 82930179

IUPAC3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c16-13-4-2-11(3-5-13)12(9-19)7-10-1-6-14(17)15(18)8-10/h1-6,8,12H,7,9,19H2
InChIKeyXJZQYXNZIFEHEX-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.39
Rot. Bonds4

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

3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 82930179) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID82930179
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c16-13-4-2-11(3-5-13)12(9-19)7-10-1-6-14(17)15(18)8-10/h1-6,8,12H,7,9,19H2
InChIKeyXJZQYXNZIFEHEX-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-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192789
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine (CID 82930179) is 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is XJZQYXNZIFEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-13-4-2-11(3-5-13)12(9-19)7-10-1-6-14(17)15(18)8-10/h1-6,8,12H,7,9,19H2.
What are the key properties of 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(3,4-difluorophenyl)-2-(4-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 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 82930179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).