1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride

C52H58Cl2N2O4 — CID 160567915

IUPAC1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
SMILESCOc1cc(CC2=NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.COc1cc(C[C@H]2NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C26H29NO2.C26H27NO2.2ClH/c2*1-18-13-22-11-12-27-24(23(22)14-19(18)2)15-21-9-10-25(26(16-21)28-3)29-17-20-7-5-4-6-8-20;;/h4-10,13-14,16,24,27H,11-12,15,17H2,1-3H3;4-10,13-14,16H,11-12,15,17H2,1-3H3;2*1H/t24-;;;/m1.../s1
InChIKeyPMGUZMJOICWDSX-DYDNMMRMSA-N
MW845.95 g/mol
LogP11.64
Rot. Bonds12

About 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride (PubChem CID 160567915) has the molecular formula C52H58Cl2N2O4 and a molecular weight of 845.95 g/mol. Its IUPAC name is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride.

Molecular Properties

Compound Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
PubChem CID160567915
Molecular FormulaC52H58Cl2N2O4
Molecular Weight845.95 g/mol
Exact Mass844.38
IUPAC Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
SMILESCOc1cc(CC2=NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.COc1cc(C[C@H]2NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C26H29NO2.C26H27NO2.2ClH/c2*1-18-13-22-11-12-27-24(23(22)14-19(18)2)15-21-9-10-25(26(16-21)28-3)29-17-20-7-5-4-6-8-20;;/h4-10,13-14,16,24,27H,11-12,15,17H2,1-3H3;4-10,13-14,16H,11-12,15,17H2,1-3H3;2*1H/t24-;;;/m1.../s1
InChIKeyPMGUZMJOICWDSX-DYDNMMRMSA-N
XLogP11.64
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.95
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride with MolForge

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Related Compounds

2-methoxy-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenol;2-methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
CID 158156026
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
7-methoxy-1-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4523184
1-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 90073381
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
[6-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenyl]methanol
CID 156705593
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
6-[(3,4-dimethoxyphenyl)methyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 22643361
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride (CID 160567915) is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride.
What is the SMILES notation for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The canonical SMILES for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride is COc1cc(CC2=NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.COc1cc(C[C@H]2NCCc3cc(C)c(C)cc32)ccc1OCc1ccccc1.Cl.Cl.
What is the InChIKey of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The InChIKey is PMGUZMJOICWDSX-DYDNMMRMSA-N. The full InChI is InChI=1S/C26H29NO2.C26H27NO2.2ClH/c2*1-18-13-22-11-12-27-24(23(22)14-19(18)2)15-21-9-10-25(26(16-21)28-3)29-17-20-7-5-4-6-8-20;;/h4-10,13-14,16,24,27H,11-12,15,17H2,1-3H3;4-10,13-14,16H,11-12,15,17H2,1-3H3;2*1H/t24-;;;/m1.../s1.
What are the key properties of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride has a molecular weight of 845.95 g/mol, XLogP of 11.64, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;(1R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride is sourced from PubChem (CID 160567915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).