3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine

C14H12ClF3N2 — CID 43080733

IUPAC3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c1-9(10-5-3-2-4-6-10)20-13-12(15)7-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFHSAGUCYSYKKJY-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.93
Rot. Bonds3

About 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43080733) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43080733
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c1-9(10-5-3-2-4-6-10)20-13-12(15)7-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFHSAGUCYSYKKJY-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43080733) is 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FHSAGUCYSYKKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-9(10-5-3-2-4-6-10)20-13-12(15)7-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.71 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43080733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).