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

C17H18F3N — CID 105141503

IUPAC3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1ccc(CCC(N)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3N/c1-12-5-7-13(8-6-12)9-10-16(21)14-3-2-4-15(11-14)17(18,19)20/h2-8,11,16H,9-10,21H2,1H3
InChIKeyKAVSCKAKRYQPQQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.65
Rot. Bonds4

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

3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 105141503) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID105141503
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1ccc(CCC(N)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3N/c1-12-5-7-13(8-6-12)9-10-16(21)14-3-2-4-15(11-14)17(18,19)20/h2-8,11,16H,9-10,21H2,1H3
InChIKeyKAVSCKAKRYQPQQ-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

2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
CID 174057560
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 105141503) is 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine is Cc1ccc(CCC(N)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is KAVSCKAKRYQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-5-7-13(8-6-12)9-10-16(21)14-3-2-4-15(11-14)17(18,19)20/h2-8,11,16H,9-10,21H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
3-(4-methylphenyl)-1-[3-(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-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105141503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).