2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol

C18H21NO2 — CID 70688134

IUPAC2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2
InChIInChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3
InChIKeyLRGFOSADSBYZGM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds3

About 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol

2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 70688134) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID70688134
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2
InChIInChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3
InChIKeyLRGFOSADSBYZGM-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
(2-benzyl-3,4-dihydro-1H-isoquinolin-3-yl)-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70814980
2-[(3-ethylphenyl)methyl]-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 90936668
8-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylmethoxyoctanamide
CID 86591426
4-benzyl-7-methoxy-3-methyl-8-phenylmethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 175944059
(13aR)-3,11-dimethoxy-2-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
CID 129027030
2-benzyl-3-[(E)-2-phenylethenyl]-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 69284389
2-benzyl-3-[(4-chlorophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 69284392
(3S)-4-benzyl-8-methoxy-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine
CID 10017542
2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 3725456
3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide
CID 69383178
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 70688134) is 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is LRGFOSADSBYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3.
What are the key properties of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 283.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 70688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).