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

C14H12ClF3N2 — CID 22629934

IUPAC3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyQDXJZYCCCNWOSJ-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.41
Rot. Bonds4

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

3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 22629934) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID22629934
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyQDXJZYCCCNWOSJ-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 22629934) is 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QDXJZYCCCNWOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.71 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 22629934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).