2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

C9H15ClN2O — CID 17294523

IUPAC2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOCCNCc1cccnc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-6-5-11-8-9-3-2-4-10-7-9;/h2-4,7,11H,5-6,8H2,1H3;1H
InChIKeyFUWOUFRHKGTREV-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.24
Rot. Bonds5

About 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 17294523) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID17294523
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOCCNCc1cccnc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-6-5-11-8-9-3-2-4-10-7-9;/h2-4,7,11H,5-6,8H2,1H3;1H
InChIKeyFUWOUFRHKGTREV-UHFFFAOYSA-N
XLogP1.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4724528
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-methoxy-N-[(5-methyl-6-pyridin-3-yloxy-3-pyridinyl)methyl]ethanamine
CID 80633302

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (CID 17294523) is 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is COCCNCc1cccnc1.Cl.
What is the InChIKey of 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is FUWOUFRHKGTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-12-6-5-11-8-9-3-2-4-10-7-9;/h2-4,7,11H,5-6,8H2,1H3;1H.
What are the key properties of 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17294523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).