1,3-Dimethyl-1,2,3,4-tetrahydroisoquinoline

HCID 129016

Notes Reactions

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Basic information

CAS: 120086-41-1
Standard SMILES: CC1Cc2ccccc2C(C)N1
InChIKey: OASVVFGGGPJVPM-UHFFFAOYSA-N
Molecular formula: C11H15N
Average molar mass: 161.24 g/mol
Monoisotopic mass: 161.12044948

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 1,3-Dimethyl-1,2,3,4-tetrahydroisoquinoline
IUPAC: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
English name: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Molecular formula: C11H15N
Molecular weight: 161.24

Names & synonyms

1,3-Dimethyl-1,2,3,4-tetrahydroisoquinoline120086-41-11,3-DimetiqDTXSID90923214RefChem:72698DTXCID901352071CHEMBL22009SCHEMBL2808964SCHEMBL3142111SCHEMBL8830231SCHEMBL29711708OASVVFGGGPJVPM-UHFFFAOYSA-N

Show more names

BDBM50017022AKOS0063734471,3-Dimethyl-1,2,3,4-tetrahydro-isoquinolineEN300-2999745Isoquinoline, 1,2,3,4-tetrahydro-1,3-dimethyl-

Database identifiers

CAS: 120086-41-1
PubChem CID: 129016
DTXSID: DTXSID90923214
ChEMBL: CHEMBL22009
Nikkaji: J2.701.818A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Chemistry & industry

Suppliers1 total

CHEMICAL LAND21[email protected]

Related reactions

4 records

New reaction record

HRID 231393As productuspto-grants-1989_07

HRID 231394As reactantuspto-grants-1989_07

HRID 282113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2322929As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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