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2-[(Dimethylamino)methyl]-2,3-dihydroinden-1-one

HCID 5400
NotesReactions
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
67153-85-9
Standard SMILES
CN(C)CC1Cc2ccccc2C1=O
InChIKey
IOXRKHWIYNWYFF-UHFFFAOYSA-N
Molecular formula
C12H15NO
Average molar mass
189.25 g/mol
Monoisotopic mass
189.1153641

Overview

2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one is a member of indanones.

Names & identifiers

Preferred name
2-[(Dimethylamino)methyl]-2,3-dihydroinden-1-one
IUPAC
2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one

Names & synonyms

67153-85-92-[(dimethylamino)methyl]-2,3-dihydroinden-1-one1H-Inden-1-one, 2-[(dimethylamino)methyl]-2,3-dihydro-CHEMBL33376382-[(dimethylamino)methyl]-2,3-dihydro-1h-inden-1-oneSCHEMBL2175676CHEMBL3545731CHEBI:91638DTXSID80274464BDBM50497530HSCI1_0002802-[(dimethylamino)methyl]-1-indanone
Show more names
PD136828AK-105/40690102BRD-A33833419-003-01-1Q27163465(?)-2-N,N-Dimethylaminomethyl-1-indanone hydrochloride

Database identifiers

CAS
67153-85-9
PubChem CID
5400
DTXSID
DTXSID80274464
ChEMBL
CHEMBL3337638、CHEMBL3545731
ChEBI
CHEBI:91638
Nikkaji
J438.091F

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
224

Related reactions

1 records
New reaction record
HRID 120142 reaction equation
HRID 120142As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes