2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

C24H25NO2 — CID 25071224

IUPAC2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H25NO2/c1-26-23-15-22-17-25(16-19-8-4-2-5-9-19)13-12-21(22)14-24(23)27-18-20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-18H2,1H3
InChIKeyFUPOIGBEAMYPMB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.83
Rot. Bonds6

About 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 25071224) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID25071224
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H25NO2/c1-26-23-15-22-17-25(16-19-8-4-2-5-9-19)13-12-21(22)14-24(23)27-18-20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-18H2,1H3
InChIKeyFUPOIGBEAMYPMB-UHFFFAOYSA-N
XLogP4.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 4901222
2-[[3-(4-ethoxyphenoxy)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11293038
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
(13aR)-11-methoxy-2,3-dimethyl-10-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 118477573

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (CID 25071224) is 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OCc1ccccc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is FUPOIGBEAMYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-26-23-15-22-17-25(16-19-8-4-2-5-9-19)13-12-21(22)14-24(23)27-18-20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-18H2,1H3.
What are the key properties of 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 359.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 25071224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).