[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C20H17F3N2 — CID 91926179

IUPAC[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)c2CN)c1
InChIInChI=1S/C20H17F3N2/c1-13-6-5-9-15(10-13)16-11-18(20(21,22)23)25-19(17(16)12-24)14-7-3-2-4-8-14/h2-11H,12,24H2,1H3
InChIKeyHPQJDWLZCIADBQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.20
Rot. Bonds3

About [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 91926179) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID91926179
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)c2CN)c1
InChIInChI=1S/C20H17F3N2/c1-13-6-5-9-15(10-13)16-11-18(20(21,22)23)25-19(17(16)12-24)14-7-3-2-4-8-14/h2-11H,12,24H2,1H3
InChIKeyHPQJDWLZCIADBQ-UHFFFAOYSA-N
XLogP5.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 91926179) is [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)c2CN)c1.
What is the InChIKey of [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is HPQJDWLZCIADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-13-6-5-9-15(10-13)16-11-18(20(21,22)23)25-19(17(16)12-24)14-7-3-2-4-8-14/h2-11H,12,24H2,1H3.
What are the key properties of [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 342.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 91926179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).