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

C17H18F3N — CID 79422480

IUPAC2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3N/c1-12-3-2-4-14(9-12)15(11-21)10-13-5-7-16(8-6-13)17(18,19)20/h2-9,15H,10-11,21H2,1H3
InChIKeyRPGOLZPZNKKESI-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.30
Rot. Bonds4

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

2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 79422480) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID79422480
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3N/c1-12-3-2-4-14(9-12)15(11-21)10-13-5-7-16(8-6-13)17(18,19)20/h2-9,15H,10-11,21H2,1H3
InChIKeyRPGOLZPZNKKESI-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-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 79422480) is 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is Cc1cccc(C(CN)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is RPGOLZPZNKKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-3-2-4-14(9-12)15(11-21)10-13-5-7-16(8-6-13)17(18,19)20/h2-9,15H,10-11,21H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
2-(3-methylphenyl)-3-[4-(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-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 79422480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).