1-Methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

HCID 20133045
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Basic information

CAS
41565-98-4
Standard SMILES
CC1NCC(C)(C)c2ccccc21
InChIKey
WFCIESMNRLUMTR-UHFFFAOYSA-N
Molecular formula
C12H17N
Average molar mass
175.27 g/mol
Monoisotopic mass
175.13609955

Names & identifiers

Preferred name
1-Methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
IUPAC
1,4,4-trimethyl-2,3-dihydro-1H-isoquinoline

Names & synonyms

41565-98-41,2,3,4-Tetrahydro-1,4,4-trimethylisoquinolineSCHEMBL95098631-methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolineWFCIESMNRLUMTR-UHFFFAOYSA-NDTXSID801248588AKOS006317689DB-3901371,4,4-Trimethyl-1,2,3,4-tetrahydroisoquinoline

Database identifiers

CAS
41565-98-4
PubChem CID
20133045
DTXSID
DTXSID801248588

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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