2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine

C16H15F4N — CID 82160885

IUPAC2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(Cc1ccccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H15F4N/c17-14-7-5-11(6-8-14)13(10-21)9-12-3-1-2-4-15(12)16(18,19)20/h1-8,13H,9-10,21H2
InChIKeyVJVBLFLFSQIGQF-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine

2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 82160885) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID82160885
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(Cc1ccccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H15F4N/c17-14-7-5-11(6-8-14)13(10-21)9-12-3-1-2-4-15(12)16(18,19)20/h1-8,13H,9-10,21H2
InChIKeyVJVBLFLFSQIGQF-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
2-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709206
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 82160885) is 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine is NCC(Cc1ccccc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is VJVBLFLFSQIGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c17-14-7-5-11(6-8-14)13(10-21)9-12-3-1-2-4-15(12)16(18,19)20/h1-8,13H,9-10,21H2.
What are the key properties of 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 297.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 82160885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).