1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

C15H14F3N — CID 55156569

IUPAC1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H14F3N/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)14(18)13(11)17/h3-8H,19H2,1-2H3
InChIKeyLLVZQOBHDRPKOE-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 55156569) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID55156569
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H14F3N/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)14(18)13(11)17/h3-8H,19H2,1-2H3
InChIKeyLLVZQOBHDRPKOE-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
CID 63987756
1-(2,5-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963750
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
CID 107512472
1-(4-bromophenyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55116362
1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
CID 62802677
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963741
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
2-(2,4-difluoro-3-methylphenyl)propan-2-amine
CID 83410035
1-(4-chlorophenyl)-1-(2-methylphenyl)ethanamine
CID 60798734

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 55156569) is 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is Cc1ccc(C(C)(N)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is LLVZQOBHDRPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)14(18)13(11)17/h3-8H,19H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 55156569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).