N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C11H15F3N2O — CID 115681101

IUPACN-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)(C)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-10(2,17-3)7-16-9-6-8(4-5-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyDTWIBDRXIGGVCN-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.94
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 115681101) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID115681101
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)(C)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-10(2,17-3)7-16-9-6-8(4-5-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyDTWIBDRXIGGVCN-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 80528200
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 115681101) is N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is COC(C)(C)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DTWIBDRXIGGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-10(2,17-3)7-16-9-6-8(4-5-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115681101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).