6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C17H16ClF3N2 — CID 59161725

IUPAC6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESC=C(C)CN(c1ccc(C(F)(F)F)cc1)c1cc(C)cc(Cl)n1
InChIInChI=1S/C17H16ClF3N2/c1-11(2)10-23(16-9-12(3)8-15(18)22-16)14-6-4-13(5-7-14)17(19,20)21/h4-9H,1,10H2,2-3H3
InChIKeyGTGFILJFOURGOA-UHFFFAOYSA-N
MW340.78 g/mol
LogP5.78
Rot. Bonds4

About 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 59161725) has the molecular formula C17H16ClF3N2 and a molecular weight of 340.78 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID59161725
Molecular FormulaC17H16ClF3N2
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC Name6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESC=C(C)CN(c1ccc(C(F)(F)F)cc1)c1cc(C)cc(Cl)n1
InChIInChI=1S/C17H16ClF3N2/c1-11(2)10-23(16-9-12(3)8-15(18)22-16)14-6-4-13(5-7-14)17(19,20)21/h4-9H,1,10H2,2-3H3
InChIKeyGTGFILJFOURGOA-UHFFFAOYSA-N
XLogP5.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.78
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 59161725) is 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is C=C(C)CN(c1ccc(C(F)(F)F)cc1)c1cc(C)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is GTGFILJFOURGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2/c1-11(2)10-23(16-9-12(3)8-15(18)22-16)14-6-4-13(5-7-14)17(19,20)21/h4-9H,1,10H2,2-3H3.
What are the key properties of 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 340.78 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-(2-methylprop-2-enyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 59161725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).