3-(2,4-Dimethoxyphenylaminomethyl)pyridine

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Basic information

CAS: 113248-81-0
Standard SMILES: COc1ccc(NCc2cccnc2)c(OC)c1
InChIKey: NKACURTYVDTAQY-UHFFFAOYSA-N
Molecular formula: C14H16N2O2
Average molar mass: 244.29 g/mol
Monoisotopic mass: 244.12117776

Names & identifiers

Preferred name: 3-(2,4-Dimethoxyphenylaminomethyl)pyridine
IUPAC: 2,4-dimethoxy-N-(pyridin-3-ylmethyl)aniline

Names & synonyms

3-(2,4-dimethoxyphenylaminomethyl)pyridine113248-81-0SCHEMBL10555220NKACURTYVDTAQY-UHFFFAOYSA-NDTXSID001254002AKOS000230227N-(2,4-Dimethoxyphenyl)-3-pyridinemethanamine2,4-Dimethoxy-N-[(pyridin-3-yl)methyl]aniline

Database identifiers

CAS: 113248-81-0
PubChem CID: 14720342
DTXSID: DTXSID001254002

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 238

Related reactions

2 records

New reaction record

HRID 1541182As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2352001As reactantuspto-grants-1989_10

Compound notes

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