2-(5,6-dimethoxy-3-pyridinyl)ethanamine

C9H14N2O2 — CID 66847650

IUPAC2-(5,6-dimethoxy-3-pyridinyl)ethanamine
SMILESCOc1cc(CCN)cnc1OC
InChIInChI=1S/C9H14N2O2/c1-12-8-5-7(3-4-10)6-11-9(8)13-2/h5-6H,3-4,10H2,1-2H3
InChIKeyGQJBRDOTNXEYSQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.60
Rot. Bonds4

About 2-(5,6-dimethoxy-3-pyridinyl)ethanamine

2-(5,6-dimethoxy-3-pyridinyl)ethanamine (PubChem CID 66847650) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)ethanamine
PubChem CID66847650
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)ethanamine
SMILESCOc1cc(CCN)cnc1OC
InChIInChI=1S/C9H14N2O2/c1-12-8-5-7(3-4-10)6-11-9(8)13-2/h5-6H,3-4,10H2,1-2H3
InChIKeyGQJBRDOTNXEYSQ-UHFFFAOYSA-N
XLogP0.60
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 167442979
(5-fluoro-6-methoxy-3-pyridinyl)methanamine
CID 58258904
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 91665629
5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80634800

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)ethanamine (CID 66847650) is 2-(5,6-dimethoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)ethanamine is COc1cc(CCN)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)ethanamine?
The InChIKey is GQJBRDOTNXEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-12-8-5-7(3-4-10)6-11-9(8)13-2/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)ethanamine?
2-(5,6-dimethoxy-3-pyridinyl)ethanamine has a molecular weight of 182.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 66847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).