3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine

C12H15F3N2O — CID 114072561

IUPAC3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCOC1)c1nc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-17(6-8-3-2-4-18-7-8)12-10(14)5-9(13)11(15)16-12/h5,8H,2-4,6-7H2,1H3
InChIKeyRFUPKDSXISBHFW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.36
Rot. Bonds3

About 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine

3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 114072561) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID114072561
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCOC1)c1nc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-17(6-8-3-2-4-18-7-8)12-10(14)5-9(13)11(15)16-12/h5,8H,2-4,6-7H2,1H3
InChIKeyRFUPKDSXISBHFW-UHFFFAOYSA-N
XLogP2.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
3-(aminomethyl)-N,2,6-trimethyl-N-(oxan-3-ylmethyl)pyridin-4-amine
CID 81050787
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
4-fluoro-2-N-methyl-2-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726969
3-fluoro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63711698
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 114067848
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 114072561) is 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine is CN(CC1CCCOC1)c1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is RFUPKDSXISBHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17(6-8-3-2-4-18-7-8)12-10(14)5-9(13)11(15)16-12/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine?
3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114072561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).