N-[(3,4,5-Trimethoxyphenyl)methyl]pyridin-2-amine

HCID 12373545

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Basic information

CAS: 6590-54-1
Standard SMILES: COc1cc(CNc2ccccn2)cc(OC)c1OC
InChIKey: IRTIVZTUONVXHU-UHFFFAOYSA-N
Molecular formula: C15H18N2O3
Average molar mass: 274.31 g/mol
Monoisotopic mass: 274.13174244

Names & identifiers

Preferred name: N-[(3,4,5-Trimethoxyphenyl)methyl]pyridin-2-amine
IUPAC: N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine

Names & synonyms

6590-54-12-Pyridinamine, N-[(3,4,5-trimethoxyphenyl)methyl]-CHEMBL302764N-[(3,4,5-Trimethoxyphenyl)methyl]pyridin-2-amine2-pyridyl[(3,4,5-trimethoxyphenyl)methyl]amineDTXSID60494966BDBM50279894SBB073082AKOS002245625ST45223653Pyridin-2-yl-(3,4,5-trimethoxy-benzyl)-amineZ94848398

Database identifiers

CAS: 6590-54-1
PubChem CID: 12373545
DTXSID: DTXSID60494966
ChEMBL: CHEMBL302764

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 264

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