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

C12H17F3N2O — CID 114943044

IUPACN-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCOC(C)(C)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-4-18-11(2,3)8-17-10-7-9(5-6-16-10)12(13,14)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyPNULGDGWXXZRKN-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.33
Rot. Bonds5

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

N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 114943044) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID114943044
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCOC(C)(C)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-4-18-11(2,3)8-17-10-7-9(5-6-16-10)12(13,14)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyPNULGDGWXXZRKN-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
2-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942527
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-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(2-ethoxy-2-methylpropyl)pyrazin-2-amine
CID 114942789
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 114943044) is N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CCOC(C)(C)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PNULGDGWXXZRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-4-18-11(2,3)8-17-10-7-9(5-6-16-10)12(13,14)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114943044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).