[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine

C13H12F2N2O — CID 81254597

IUPAC[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2ccc(F)cc2F)c(CN)cn1
InChIInChI=1S/C13H12F2N2O/c1-8-4-13(9(6-16)7-17-8)18-12-3-2-10(14)5-11(12)15/h2-5,7H,6,16H2,1H3
InChIKeyLEJQDMDVPGDXAA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.92
Rot. Bonds3

About [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine

[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81254597) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID81254597
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2ccc(F)cc2F)c(CN)cn1
InChIInChI=1S/C13H12F2N2O/c1-8-4-13(9(6-16)7-17-8)18-12-3-2-10(14)5-11(12)15/h2-5,7H,6,16H2,1H3
InChIKeyLEJQDMDVPGDXAA-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 83235153
[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
CID 81250178
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
(6-methyl-4-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 81251012
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanamine
CID 81250797
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81251048

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine (CID 81254597) is [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine is Cc1cc(Oc2ccc(F)cc2F)c(CN)cn1.
What is the InChIKey of [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is LEJQDMDVPGDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-4-13(9(6-16)7-17-8)18-12-3-2-10(14)5-11(12)15/h2-5,7H,6,16H2,1H3.
What are the key properties of [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 250.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81254597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).