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

C15H15F2N — CID 15014589

IUPAC3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2N/c16-14-6-4-12(5-7-14)13(10-18)8-11-2-1-3-15(17)9-11/h1-7,9,13H,8,10,18H2
InChIKeyXXSGHFDOMMZQON-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.25
Rot. Bonds4

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

3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 15014589) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID15014589
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2N/c16-14-6-4-12(5-7-14)13(10-18)8-11-2-1-3-15(17)9-11/h1-7,9,13H,8,10,18H2
InChIKeyXXSGHFDOMMZQON-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)propan-1-amine
CID 82140472
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
CID 84721552
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine (CID 15014589) is 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is XXSGHFDOMMZQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c16-14-6-4-12(5-7-14)13(10-18)8-11-2-1-3-15(17)9-11/h1-7,9,13H,8,10,18H2.
What are the key properties of 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 247.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 15014589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).