6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine

C13H20N2O — CID 142365913

IUPAC6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
SMILESCOc1cc2c(cc1N)C(C)(C)N(C)CC2
InChIInChI=1S/C13H20N2O/c1-13(2)10-8-11(14)12(16-4)7-9(10)5-6-15(13)3/h7-8H,5-6,14H2,1-4H3
InChIKeyGAZCGMXOZBREJX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds1

About 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine

6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine (PubChem CID 142365913) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine.

Molecular Properties

Compound Name6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
PubChem CID142365913
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
SMILESCOc1cc2c(cc1N)C(C)(C)N(C)CC2
InChIInChI=1S/C13H20N2O/c1-13(2)10-8-11(14)12(16-4)7-9(10)5-6-15(13)3/h7-8H,5-6,14H2,1-4H3
InChIKeyGAZCGMXOZBREJX-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 134427476
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
3-(7-amino-6-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-1,1,1-trifluoropropan-2-one
CID 157328509
1-(6-amino-1,1-diethyl-7-methoxy-3,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 129048470
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438
2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 63678193
8-amino-7-methoxy-3-sulfanyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 143662042
6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 126797077
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;hydrochloride
CID 21161757

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine?
The IUPAC name of 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine (CID 142365913) is 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine.
What is the SMILES notation for 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine?
The canonical SMILES for 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine is COc1cc2c(cc1N)C(C)(C)N(C)CC2.
What is the InChIKey of 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine?
The InChIKey is GAZCGMXOZBREJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)10-8-11(14)12(16-4)7-9(10)5-6-15(13)3/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine?
6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine is sourced from PubChem (CID 142365913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).