2-(3-Methoxybenzyl)-1-methylpyrrolidine

HCID 23452500

Notes Reactions

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Basic information

CAS: 66162-83-2
Standard SMILES: COc1cccc(CC2CCCN2C)c1
InChIKey: YKTRGSOHLRFGAD-UHFFFAOYSA-N
Molecular formula: C13H19NO
Average molar mass: 205.3 g/mol
Monoisotopic mass: 205.14666423

Names & identifiers

Preferred name: 2-(3-Methoxybenzyl)-1-methylpyrrolidine
IUPAC: 2-[(3-methoxyphenyl)methyl]-1-methylpyrrolidine

Names & synonyms

2-(3-methoxybenzyl)-1-methylpyrrolidine66162-83-22-[(3-Methoxyphenyl)methyl]-1-methylpyrrolidineSCHEMBL11379154DTXSID40634287YKTRGSOHLRFGAD-UHFFFAOYSA-N

Database identifiers

CAS: 66162-83-2
PubChem CID: 23452500
DTXSID: DTXSID40634287

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Related reactions

4 records

New reaction record

HRID 959056As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1135808As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1278049As productuspto-grants-1981_07

HRID 1278051As reactantuspto-grants-1981_07

Compound notes

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