6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine

C12H18N2O2 — CID 116995519

IUPAC6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
SMILESCOc1cc2c(cc1OC)C(N)N(C)CC2
InChIInChI=1S/C12H18N2O2/c1-14-5-4-8-6-10(15-2)11(16-3)7-9(8)12(14)13/h6-7,12H,4-5,13H2,1-3H3
InChIKeyMIEZUAHXGFUBNK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine

6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine (PubChem CID 116995519) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
PubChem CID116995519
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
SMILESCOc1cc2c(cc1OC)C(N)N(C)CC2
InChIInChI=1S/C12H18N2O2/c1-14-5-4-8-6-10(15-2)11(16-3)7-9(8)12(14)13/h6-7,12H,4-5,13H2,1-3H3
InChIKeyMIEZUAHXGFUBNK-UHFFFAOYSA-N
XLogP1.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995526
9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride
CID 53464027
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
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
7-tert-butyl-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 168846404
9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
CID 609741
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
9,10-dimethoxy-2,3-dimethyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 175628428

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine (CID 116995519) is 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine is COc1cc2c(cc1OC)C(N)N(C)CC2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine?
The InChIKey is MIEZUAHXGFUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-5-4-8-6-10(15-2)11(16-3)7-9(8)12(14)13/h6-7,12H,4-5,13H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine?
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine is sourced from PubChem (CID 116995519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).