N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine

C24H24N2O2 — CID 135704112

IUPACN-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C24H24N2O2/c1-27-21-13-19-14-23(25-16-17-9-5-3-6-10-17)26-24(18-11-7-4-8-12-18)20(19)15-22(21)28-2/h3-13,15,24H,14,16H2,1-2H3,(H,25,26)
InChIKeyLFEJALBCNVPTLK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.54
Rot. Bonds5

About N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine

N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine (PubChem CID 135704112) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
PubChem CID135704112
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C24H24N2O2/c1-27-21-13-19-14-23(25-16-17-9-5-3-6-10-17)26-24(18-11-7-4-8-12-18)20(19)15-22(21)28-2/h3-13,15,24H,14,16H2,1-2H3,(H,25,26)
InChIKeyLFEJALBCNVPTLK-UHFFFAOYSA-N
XLogP4.54
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine
CID 11027336
(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 2315649
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
CID 129405533
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799
1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 3957124

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine?
The IUPAC name of N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine (CID 135704112) is N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine.
What is the SMILES notation for N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine?
The canonical SMILES for N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine is COc1cc2c(cc1OC)C(c1ccccc1)N/C(=N/Cc1ccccc1)C2.
What is the InChIKey of N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine?
The InChIKey is LFEJALBCNVPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-27-21-13-19-14-23(25-16-17-9-5-3-6-10-17)26-24(18-11-7-4-8-12-18)20(19)15-22(21)28-2/h3-13,15,24H,14,16H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine?
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine has a molecular weight of 372.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine is sourced from PubChem (CID 135704112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).