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

C13H20ClNO2 — CID 126797077

IUPAC6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C)(C)NCC2.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-13(2)10-8-12(16-4)11(15-3)7-9(10)5-6-14-13;/h7-8,14H,5-6H2,1-4H3;1H
InChIKeyPEODEIZULKEQLS-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.51
Rot. Bonds2

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

6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride (PubChem CID 126797077) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
PubChem CID126797077
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C)(C)NCC2.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-13(2)10-8-12(16-4)11(15-3)7-9(10)5-6-14-13;/h7-8,14H,5-6H2,1-4H3;1H
InChIKeyPEODEIZULKEQLS-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide
CID 11076321
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
CID 7116878
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 105457553
6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 21423163
1-(2,4-dimethylphenyl)-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-6-carboxylic acid
CID 155797015
bis[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-isoquinolin-1-yl] oxalate
CID 69307332
3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl]propanamide
CID 68782874
6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
CID 142365913
(1S)-1-(4-chlorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydroisochromene
CID 129364206
4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
CID 11605307

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride (CID 126797077) is 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride is COc1cc2c(cc1OC)C(C)(C)NCC2.Cl.
What is the InChIKey of 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The InChIKey is PEODEIZULKEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-13(2)10-8-12(16-4)11(15-3)7-9(10)5-6-14-13;/h7-8,14H,5-6H2,1-4H3;1H.
What are the key properties of 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride is sourced from PubChem (CID 126797077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).