(2-Methyl-3-phenyl-allyl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine (HCID 68680591)

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Basic information

Standard SMILES: CC(=Cc1ccccc1)CNCCC1CCCN1C
InChIKey: KMJJKCXWXCUSJV-UHFFFAOYSA-N
Molecular formula: C17H26N2
Average molar mass: 258.4 g/mol
Monoisotopic mass: 258.20959884

Names & identifiers

Preferred name: (2-Methyl-3-phenyl-allyl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine
IUPAC: 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylprop-2-en-1-amine

Names & synonyms

SCHEMBL3536131KMJJKCXWXCUSJV-UHFFFAOYSA-N(2-Methyl-3-phenyl-allyl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine(2-methyl-3-phenyl-allyl)-[2-(1-methyl-pyrrolidine-2-yl)-ethyl]-amine

Database identifiers

PubChem CID: 68680591

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 279

Related reactions

2 records

New reaction record

HRID 319170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1992739As reactantuspto-grants-2010_01

Compound notes

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