2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C9H12F2N2O — CID 62989233

IUPAC2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-14-9-3-2-7(5-13-9)4-12-6-8(10)11/h2-3,5,8,12H,4,6H2,1H3
InChIKeyMCOSMGALVQNOEO-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.44
Rot. Bonds5

About 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 62989233) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID62989233
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-14-9-3-2-7(5-13-9)4-12-6-8(10)11/h2-3,5,8,12H,4,6H2,1H3
InChIKeyMCOSMGALVQNOEO-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 62989233) is 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNCC(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is MCOSMGALVQNOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-14-9-3-2-7(5-13-9)4-12-6-8(10)11/h2-3,5,8,12H,4,6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 202.20 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62989233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).