2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine

C9H14N2O2 — CID 70124527

IUPAC2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
SMILESCOc1cncc(COCCN)c1
InChIInChI=1S/C9H14N2O2/c1-12-9-4-8(5-11-6-9)7-13-3-2-10/h4-6H,2-3,7,10H2,1H3
InChIKeyWBAXEAFRKVRLLD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds5

About 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine

2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine (PubChem CID 70124527) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
PubChem CID70124527
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
SMILESCOc1cncc(COCCN)c1
InChIInChI=1S/C9H14N2O2/c1-12-9-4-8(5-11-6-9)7-13-3-2-10/h4-6H,2-3,7,10H2,1H3
InChIKeyWBAXEAFRKVRLLD-UHFFFAOYSA-N
XLogP0.57
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
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-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
CID 165445890
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
CID 90212514
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine?
The IUPAC name of 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine (CID 70124527) is 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine?
The canonical SMILES for 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine is COc1cncc(COCCN)c1.
What is the InChIKey of 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine?
The InChIKey is WBAXEAFRKVRLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-12-9-4-8(5-11-6-9)7-13-3-2-10/h4-6H,2-3,7,10H2,1H3.
What are the key properties of 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine?
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine has a molecular weight of 182.22 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine is sourced from PubChem (CID 70124527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).