N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine

C10H14F2N2O2 — CID 79793947

IUPACN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC(F)F)cn1
InChIInChI=1S/C10H14F2N2O2/c1-15-5-4-13-6-8-2-3-9(7-14-8)16-10(11)12/h2-3,7,10,13H,4-6H2,1H3
InChIKeyQJCPTTDGJGUCKB-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.42
Rot. Bonds7

About N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine

N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 79793947) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID79793947
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC NameN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC(F)F)cn1
InChIInChI=1S/C10H14F2N2O2/c1-15-5-4-13-6-8-2-3-9(7-14-8)16-10(11)12/h2-3,7,10,13H,4-6H2,1H3
InChIKeyQJCPTTDGJGUCKB-UHFFFAOYSA-N
XLogP1.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.42
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

2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794391
2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79789474
2-methoxy-N-[[5-(oxan-4-yloxy)-2-pyridinyl]methyl]ethanamine
CID 79794119

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine (CID 79793947) is N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OC(F)F)cn1.
What is the InChIKey of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is QJCPTTDGJGUCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-15-5-4-13-6-8-2-3-9(7-14-8)16-10(11)12/h2-3,7,10,13H,4-6H2,1H3.
What are the key properties of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine?
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 232.23 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79793947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).