N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O — CID 43103022

IUPACN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCC1CCCO1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-4-1-5-15-10(9)16-7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyWJJRPGSADQFLAJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 43103022) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID43103022
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCC1CCCO1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-4-1-5-15-10(9)16-7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyWJJRPGSADQFLAJ-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836
N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118760932
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
4-chloro-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 43082564
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 43103022) is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WJJRPGSADQFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-4-1-5-15-10(9)16-7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43103022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).