6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

C13H19NO2 — CID 22646

IUPAC6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(C)N(C)CC2
InChIInChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3
InChIKeyHRSIPKSSEVRSPG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds2

About 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22646) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID22646
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(C)N(C)CC2
InChIInChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3
InChIKeyHRSIPKSSEVRSPG-UHFFFAOYSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 168846404
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 3390089
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
CID 116995519
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995526
6,7-dimethoxy-1-methyl-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline
CID 3100797
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309
(1S)-6,7-dimethoxy-1-methyl-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 23622170
6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 23621618
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline (CID 22646) is 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(C)N(C)CC2.
What is the InChIKey of 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HRSIPKSSEVRSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).