6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine

C15H13F3N2O — CID 102716909

IUPAC6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-7-13(20-14(19)8-10)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,19,20)
InChIKeyDBLSHODISMBRHR-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.89
Rot. Bonds3

About 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine

6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716909) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716909
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-7-13(20-14(19)8-10)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,19,20)
InChIKeyDBLSHODISMBRHR-UHFFFAOYSA-N
XLogP3.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716909) is 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(-c2ccc(OC3CC3)cc2)n1.
What is the InChIKey of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DBLSHODISMBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)10-7-13(20-14(19)8-10)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,19,20).
What are the key properties of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).