(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine

C13H11F3N2 — CID 66272704

IUPAC(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1ccncc1C(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H11F3N2/c1-7-2-3-18-6-9(7)13(17)8-4-10(14)12(16)11(15)5-8/h2-6,13H,17H2,1H3
InChIKeyDMLDOZISSXJUGH-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.86
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine

(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 66272704) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID66272704
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1ccncc1C(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H11F3N2/c1-7-2-3-18-6-9(7)13(17)8-4-10(14)12(16)11(15)5-8/h2-6,13H,17H2,1H3
InChIKeyDMLDOZISSXJUGH-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642
(4-methyl-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144332
(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 63184968
(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
CID 114877864

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine (CID 66272704) is (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine is Cc1ccncc1C(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is DMLDOZISSXJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-7-2-3-18-6-9(7)13(17)8-4-10(14)12(16)11(15)5-8/h2-6,13H,17H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine?
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 252.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 66272704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).