1-(4,4-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

HCID 22592016
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Basic information

Standard SMILES
CC(=O)N1Cc2ccccc2C(C)(C)C1
InChIKey
DZLKUWXMKWYLGJ-UHFFFAOYSA-N
Molecular formula
C13H17NO
Average molar mass
203.28 g/mol

Names & identifiers

Preferred name
1-(4,4-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
IUPAC
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)ethanone

Names & synonyms

SCHEMBL5626609SCHEMBL6335311DZLKUWXMKWYLGJ-UHFFFAOYSA-NZ15307565171-(4,4-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone1-(4,4-Dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone

Database identifiers

PubChem CID
22592016

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
15

Related reactions

4 records
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Compound notes

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