3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine

C29H38N2O3 — CID 19847466

IUPAC3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine
SMILESCOc1cc2c(cc1OC)CN(CCCN(C)C(C)c1ccc3c(C)c(OC)ccc3c1)CC2
InChIInChI=1S/C29H38N2O3/c1-20-26-10-8-22(16-24(26)9-11-27(20)32-4)21(2)30(3)13-7-14-31-15-12-23-17-28(33-5)29(34-6)18-25(23)19-31/h8-11,16-18,21H,7,12-15,19H2,1-6H3
InChIKeyIKWRPPKWGQQSNS-UHFFFAOYSA-N
MW462.63 g/mol
LogP5.62
Rot. Bonds9

About 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine (PubChem CID 19847466) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine
PubChem CID19847466
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine
SMILESCOc1cc2c(cc1OC)CN(CCCN(C)C(C)c1ccc3c(C)c(OC)ccc3c1)CC2
InChIInChI=1S/C29H38N2O3/c1-20-26-10-8-22(16-24(26)9-11-27(20)32-4)21(2)30(3)13-7-14-31-15-12-23-17-28(33-5)29(34-6)18-25(23)19-31/h8-11,16-18,21H,7,12-15,19H2,1-6H3
InChIKeyIKWRPPKWGQQSNS-UHFFFAOYSA-N
XLogP5.62
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine 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-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 19897622
7,8-dimethoxy-3-[3-[methyl-[1-(2-methylnaphthalen-1-yl)ethyl]amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
CID 70385457
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
6,7-dimethoxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 162476741
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 10768686
2-(anthracen-9-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1376491
5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylphenyl)sulfanylheptyl]-2-methoxyphenol
CID 10602427
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
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 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine (CID 19847466) is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine is COc1cc2c(cc1OC)CN(CCCN(C)C(C)c1ccc3c(C)c(OC)ccc3c1)CC2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine?
The InChIKey is IKWRPPKWGQQSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-20-26-10-8-22(16-24(26)9-11-27(20)32-4)21(2)30(3)13-7-14-31-15-12-23-17-28(33-5)29(34-6)18-25(23)19-31/h8-11,16-18,21H,7,12-15,19H2,1-6H3.
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine?
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine has a molecular weight of 462.63 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(6-methoxy-5-methylnaphthalen-2-yl)ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 19847466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).