[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12F2N2O — CID 81270028

IUPAC[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2c(F)cccc2F)ccn1
InChIInChI=1S/C13H12F2N2O/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6H,7-8,16H2
InChIKeyHPADFFNDSPWXTJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.40
Rot. Bonds4

About [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine

[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 81270028) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID81270028
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2c(F)cccc2F)ccn1
InChIInChI=1S/C13H12F2N2O/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6H,7-8,16H2
InChIKeyHPADFFNDSPWXTJ-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
[3-[(2,6-difluorophenoxy)methyl]phenyl]boronic acid
CID 81270236
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine (CID 81270028) is [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1cc(COc2c(F)cccc2F)ccn1.
What is the InChIKey of [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is HPADFFNDSPWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6H,7-8,16H2.
What are the key properties of [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 250.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 81270028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).