N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C13H17F3N2O — CID 103743077

IUPACN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyWXBSKODSVVTCGH-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.33
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 103743077) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID103743077
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyWXBSKODSVVTCGH-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539128
cis-(1S,5R)-3,3,5-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 70691543
(2R)-2-[[3-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312620
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
CID 63712800
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11424740
4-[6-(Trifluoromethyl)pyridin-2-yl]morpholine
CID 26596973
7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 163657192
N-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 61777266
N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine
CID 154721493
4-(6-(1-(Trifluoromethyl)cyclopropyl)pyridin-2-yl)morpholine
CID 166636783

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 103743077) is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is CC1(CNc2cccc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WXBSKODSVVTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103743077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).