1,2,3,4-Tetrahydro-1-allyl-6,7-dimethoxy-3,3-dimethyl-isoquinoline

HCID 613264

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Basic information

CAS: 180461-39-6
Standard SMILES: C=CCC1NC(C)(C)Cc2cc(OC)c(OC)cc21
InChIKey: GDPIAGJDWHVOJK-UHFFFAOYSA-N
Molecular formula: C16H23NO2
Average molar mass: 261.36 g/mol
Monoisotopic mass: 261.17287898

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-1-allyl-6,7-dimethoxy-3,3-dimethyl-isoquinoline
IUPAC: 6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinoline

Names & synonyms

180461-39-61,2,3,4-TETRAHYDRO-1-ALLYL-6,7-DIMETHOXY-3,3-DIMETHYL-ISOQUINOLINEDTXSID70346568RefChem:214434DTXCID502976406,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolineOprea1_571986Oprea1_680930GDPIAGJDWHVOJK-UHFFFAOYSA-NAKOS000671651AKOS0304834756,7-dimethoxy-3,3-dimethyl-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline

Show more names

AB00088468-01AG-205/325590601-Allyl-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline1-Allyl-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline #Isoquinoline, 1,2,3,4-tetrahydro-1-allyl-6,7-dimethoxy-3,3-dimethyl-

Database identifiers

CAS: 180461-39-6
PubChem CID: 613264
DTXSID: DTXSID70346568
Nikkaji: J836.865A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 316

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