N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C12H15F3N2O — CID 66329062

IUPACN-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCCO2)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-5-16-11(7-9)17-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8H2,(H,16,17)
InChIKeyBSLDPGZALZEXDY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.08
Rot. Bonds3

About N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329062) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329062
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCCO2)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-5-16-11(7-9)17-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8H2,(H,16,17)
InChIKeyBSLDPGZALZEXDY-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66329062) is N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCC2CCCCO2)c1.
What is the InChIKey of N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSLDPGZALZEXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-4-5-16-11(7-9)17-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8H2,(H,16,17).
What are the key properties of N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).