N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine

C11H16F2N2O2 — CID 79158985

IUPACN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)ccc1OC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-8-3-4-10(17-11(12)13)9(15-8)7-14-5-6-16-2/h3-4,11,14H,5-7H2,1-2H3
InChIKeyFYDOEQDXMKQVHU-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.73
Rot. Bonds7

About N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine

N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 79158985) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID79158985
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC NameN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)ccc1OC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-8-3-4-10(17-11(12)13)9(15-8)7-14-5-6-16-2/h3-4,11,14H,5-7H2,1-2H3
InChIKeyFYDOEQDXMKQVHU-UHFFFAOYSA-N
XLogP1.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79156818
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79158142
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79158981
2-methoxy-N-[[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79156826
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-methoxy-N-[[6-methyl-3-[(1-methylpyrazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 82866668
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151186
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine (CID 79158985) is N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1nc(C)ccc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is FYDOEQDXMKQVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-8-3-4-10(17-11(12)13)9(15-8)7-14-5-6-16-2/h3-4,11,14H,5-7H2,1-2H3.
What are the key properties of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 246.26 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).