4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline

C19H24N2O2 — CID 3284200

IUPAC4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline
SMILESCOc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)NCC2
InChIInChI=1S/C19H24N2O2/c1-21(2)15-7-5-13(6-8-15)19-16-12-18(23-4)17(22-3)11-14(16)9-10-20-19/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyNCRQQAJAESRBPY-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds4

About 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline (PubChem CID 3284200) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline
PubChem CID3284200
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline
SMILESCOc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)NCC2
InChIInChI=1S/C19H24N2O2/c1-21(2)15-7-5-13(6-8-15)19-16-12-18(23-4)17(22-3)11-14(16)9-10-20-19/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyNCRQQAJAESRBPY-UHFFFAOYSA-N
XLogP3.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline (CID 3284200) is 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline is COc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)NCC2.
What is the InChIKey of 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline?
The InChIKey is NCRQQAJAESRBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)15-7-5-13(6-8-15)19-16-12-18(23-4)17(22-3)11-14(16)9-10-20-19/h5-8,11-12,19-20H,9-10H2,1-4H3.
What are the key properties of 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline?
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline has a molecular weight of 312.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 3284200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).