N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

C11H15F3N2O — CID 62735148

IUPACN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCCC(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-8(6-7-17-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyXBBBBMBVUGIDOY-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.94
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 62735148) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID62735148
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCCC(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-8(6-7-17-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyXBBBBMBVUGIDOY-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Cyclohexylamino)pyridine-2-carbonitrile
CID 16108897
N-(6-methyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)urea
CID 934768
N,6-dimethylpyridin-2-amine
CID 3839092
1-(6-Methylpyridin-2-yl)-3-propyl-urea
CID 6469265
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323541
N-{1,1,1,3,3,3-hexafluoro-2-[(6-methylpyridin-2-yl)amino]propan-2-yl}propanamide
CID 658503
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
2-N-[(1R)-1-cyclopropylethyl]-4-N-(4-methoxybutan-2-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817167
6-(Dimethylamino)-2-pyridinemethanamine
CID 62300498
N-(6-Methylpyridin-2-yl)perfluorobutanamide
CID 3106080
N-[(5R)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323539
2-(3-Ethylureido)-6-methylpyridine
CID 126618

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 62735148) is N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is COCCC(C)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XBBBBMBVUGIDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8(6-7-17-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).