3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine

C16H12F2N2O — CID 81265271

IUPAC3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1COc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O/c17-12-5-3-6-13(18)15(12)21-9-11-8-10-4-1-2-7-14(10)20-16(11)19/h1-8H,9H2,(H2,19,20)
InChIKeyOGZQNVCGQGBIPB-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.67
Rot. Bonds3

About 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine

3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine (PubChem CID 81265271) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
PubChem CID81265271
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1COc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O/c17-12-5-3-6-13(18)15(12)21-9-11-8-10-4-1-2-7-14(10)20-16(11)19/h1-8H,9H2,(H2,19,20)
InChIKeyOGZQNVCGQGBIPB-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
3-(2,2-difluoroethoxymethyl)quinolin-2-amine
CID 82007215
[4-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 62188885
3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride
CID 68550592
3-[(2-fluoro-6-methoxyphenyl)methyl]quinolin-2-amine
CID 25227515
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
5-fluoro-3-(2-fluorophenyl)quinolin-2-amine
CID 122688136
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
CID 24778025

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine?
The IUPAC name of 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine (CID 81265271) is 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine is Nc1nc2ccccc2cc1COc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine?
The InChIKey is OGZQNVCGQGBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-5-3-6-13(18)15(12)21-9-11-8-10-4-1-2-7-14(10)20-16(11)19/h1-8H,9H2,(H2,19,20).
What are the key properties of 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine?
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine has a molecular weight of 286.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine is sourced from PubChem (CID 81265271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).