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

C17H18F3N — CID 173297949

IUPAC2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-16(21,11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)17(18,19)20/h2-10H,11-12,21H2,1H3
InChIKeyOLUBBKVHZLNIKY-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.21
Rot. Bonds4

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

2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 173297949) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID173297949
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-16(21,11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)17(18,19)20/h2-10H,11-12,21H2,1H3
InChIKeyOLUBBKVHZLNIKY-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
(2-fluoro-2-methylpropyl)benzene
CID 14343442
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
1-[3-chloro-2-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)benzene
CID 79447195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 173297949) is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CC(N)(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is OLUBBKVHZLNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-16(21,11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)17(18,19)20/h2-10H,11-12,21H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 173297949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).