3-(2,2-difluoroethoxymethyl)quinolin-2-amine

C12H12F2N2O — CID 82007215

IUPAC3-(2,2-difluoroethoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCC(F)F
InChIInChI=1S/C12H12F2N2O/c13-11(14)7-17-6-9-5-8-3-1-2-4-10(8)16-12(9)15/h1-5,11H,6-7H2,(H2,15,16)
InChIKeyBLIHBNQBVYQZED-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.60
Rot. Bonds4

About 3-(2,2-difluoroethoxymethyl)quinolin-2-amine

3-(2,2-difluoroethoxymethyl)quinolin-2-amine (PubChem CID 82007215) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxymethyl)quinolin-2-amine
PubChem CID82007215
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name3-(2,2-difluoroethoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCC(F)F
InChIInChI=1S/C12H12F2N2O/c13-11(14)7-17-6-9-5-8-3-1-2-4-10(8)16-12(9)15/h1-5,11H,6-7H2,(H2,15,16)
InChIKeyBLIHBNQBVYQZED-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptoxymethyl)quinolin-2-amine
CID 62194119
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
CID 81265271
3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
[4-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 62188885
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
CID 64744814
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
3-octylquinolin-2-amine
CID 23131231
7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
CID 103285328

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxymethyl)quinolin-2-amine?
The IUPAC name of 3-(2,2-difluoroethoxymethyl)quinolin-2-amine (CID 82007215) is 3-(2,2-difluoroethoxymethyl)quinolin-2-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxymethyl)quinolin-2-amine?
The canonical SMILES for 3-(2,2-difluoroethoxymethyl)quinolin-2-amine is Nc1nc2ccccc2cc1COCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxymethyl)quinolin-2-amine?
The InChIKey is BLIHBNQBVYQZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-11(14)7-17-6-9-5-8-3-1-2-4-10(8)16-12(9)15/h1-5,11H,6-7H2,(H2,15,16).
What are the key properties of 3-(2,2-difluoroethoxymethyl)quinolin-2-amine?
3-(2,2-difluoroethoxymethyl)quinolin-2-amine has a molecular weight of 238.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 82007215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).