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

C12H18F2N2O2 — CID 79156818

IUPACN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)ccc1OCC(F)F
InChIInChI=1S/C12H18F2N2O2/c1-9-3-4-11(18-8-12(13)14)10(16-9)7-15-5-6-17-2/h3-4,12,15H,5-8H2,1-2H3
InChIKeyLAHWFHINIFZVLX-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.77
Rot. Bonds8

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

N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 79156818) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID79156818
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC NameN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)ccc1OCC(F)F
InChIInChI=1S/C12H18F2N2O2/c1-9-3-4-11(18-8-12(13)14)10(16-9)7-15-5-6-17-2/h3-4,12,15H,5-8H2,1-2H3
InChIKeyLAHWFHINIFZVLX-UHFFFAOYSA-N
XLogP1.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.77
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-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79158985
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79156405
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79158142
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79158981
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-methoxy-N-[[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79156826
2-methoxy-N-[[6-methyl-3-[(1-methylpyrazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 82866668
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[[3-(methoxymethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156612
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine (CID 79156818) is N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1nc(C)ccc1OCC(F)F.
What is the InChIKey of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is LAHWFHINIFZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-9-3-4-11(18-8-12(13)14)10(16-9)7-15-5-6-17-2/h3-4,12,15H,5-8H2,1-2H3.
What are the key properties of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine?
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 260.28 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79156818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).