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

C17H18F3N — CID 105145474

IUPAC3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1ccccc1CCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-12-6-2-3-7-13(12)10-11-16(21)14-8-4-5-9-15(14)17(18,19)20/h2-9,16H,10-11,21H2,1H3
InChIKeyWHVDJPOBVNONOF-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.65
Rot. Bonds4

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

3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 105145474) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID105145474
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1ccccc1CCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-12-6-2-3-7-13(12)10-11-16(21)14-8-4-5-9-15(14)17(18,19)20/h2-9,16H,10-11,21H2,1H3
InChIKeyWHVDJPOBVNONOF-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(1S)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171226257
(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206682
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 105145474) is 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine is Cc1ccccc1CCC(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is WHVDJPOBVNONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-6-2-3-7-13(12)10-11-16(21)14-8-4-5-9-15(14)17(18,19)20/h2-9,16H,10-11,21H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105145474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).