6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline

C21H27NO2 — CID 23621618

IUPAC6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCCC(c1ccccc1)C1c2cc(OC)c(OC)cc2CCN1C
InChIInChI=1S/C21H27NO2/c1-5-17(15-9-7-6-8-10-15)21-18-14-20(24-4)19(23-3)13-16(18)11-12-22(21)2/h6-10,13-14,17,21H,5,11-12H2,1-4H3
InChIKeyMIIHCAVZOVTZAL-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.43
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 23621618) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID23621618
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCCC(c1ccccc1)C1c2cc(OC)c(OC)cc2CCN1C
InChIInChI=1S/C21H27NO2/c1-5-17(15-9-7-6-8-10-15)21-18-14-20(24-4)19(23-3)13-16(18)11-12-22(21)2/h6-10,13-14,17,21H,5,11-12H2,1-4H3
InChIKeyMIIHCAVZOVTZAL-UHFFFAOYSA-N
XLogP4.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline 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

6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
(1R)-1-[(1R)-6,7-dimethoxy-2-[[(1R)-1-phenylethyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 101229279
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
CID 116995519
ethyl 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)hexanoate;hydrochloride
CID 14798080
(1S)-6,7-dimethoxy-1-methyl-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 14504439
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylbutan-1-one
CID 24685631
(1R)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylethanol
CID 40758909
(2S)-1-[(1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylbutan-1-one
CID 92773151
methyl (4R,5R)-5-benzyl-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate
CID 56850624
(S)-(2-bromo-3,4-dimethoxyphenyl)-[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 11070427
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpropan-1-ol
CID 11290357

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline (CID 23621618) is 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline is CCC(c1ccccc1)C1c2cc(OC)c(OC)cc2CCN1C.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is MIIHCAVZOVTZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-17(15-9-7-6-8-10-15)21-18-14-20(24-4)19(23-3)13-16(18)11-12-22(21)2/h6-10,13-14,17,21H,5,11-12H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-(1-phenylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).