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

C17H18F3N — CID 79422492

IUPAC2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cccc(C(CN)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-12-4-2-6-14(8-12)15(11-21)9-13-5-3-7-16(10-13)17(18,19)20/h2-8,10,15H,9,11,21H2,1H3
InChIKeyKSLFSYPJBCTCGE-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.30
Rot. Bonds4

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

2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 79422492) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID79422492
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cccc(C(CN)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-12-4-2-6-14(8-12)15(11-21)9-13-5-3-7-16(10-13)17(18,19)20/h2-8,10,15H,9,11,21H2,1H3
InChIKeyKSLFSYPJBCTCGE-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83973945
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
1-bromo-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112539174
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 79422492) is 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is Cc1cccc(C(CN)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is KSLFSYPJBCTCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-4-2-6-14(8-12)15(11-21)9-13-5-3-7-16(10-13)17(18,19)20/h2-8,10,15H,9,11,21H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 79422492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).