(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride

C20H24Cl2N2O3 — CID 21127507

IUPAC(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride
SMILESCOc1ccc(C(N)c2nc(C)cc3cc(OC)c(OC)cc23)cc1.Cl.Cl
InChIInChI=1S/C20H22N2O3.2ClH/c1-12-9-14-10-17(24-3)18(25-4)11-16(14)20(22-12)19(21)13-5-7-15(23-2)8-6-13;;/h5-11,19H,21H2,1-4H3;2*1H
InChIKeyOKRSVJIMHWPRAW-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.46
Rot. Bonds5

About (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride

(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride (PubChem CID 21127507) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride
PubChem CID21127507
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride
SMILESCOc1ccc(C(N)c2nc(C)cc3cc(OC)c(OC)cc23)cc1.Cl.Cl
InChIInChI=1S/C20H22N2O3.2ClH/c1-12-9-14-10-17(24-3)18(25-4)11-16(14)20(22-12)19(21)13-5-7-15(23-2)8-6-13;;/h5-11,19H,21H2,1-4H3;2*1H
InChIKeyOKRSVJIMHWPRAW-UHFFFAOYSA-N
XLogP4.46
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
CID 68515654
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
CID 87276665
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
CID 91665053
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
CID 68516638
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
CID 68775417
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
[6-bromo-2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine
CID 68518223

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride?
The IUPAC name of (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride (CID 21127507) is (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride.
What is the SMILES notation for (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride?
The canonical SMILES for (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride is COc1ccc(C(N)c2nc(C)cc3cc(OC)c(OC)cc23)cc1.Cl.Cl.
What is the InChIKey of (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride?
The InChIKey is OKRSVJIMHWPRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.2ClH/c1-12-9-14-10-17(24-3)18(25-4)11-16(14)20(22-12)19(21)13-5-7-15(23-2)8-6-13;;/h5-11,19H,21H2,1-4H3;2*1H.
What are the key properties of (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride?
(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride is sourced from PubChem (CID 21127507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).