2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine

C21H30N2O — CID 152752554

IUPAC2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1=CCC2C(=C1)NC(C)(C)CC2c1ccccc1
InChIInChI=1S/C21H30N2O/c1-21(2)15-19(16-8-6-5-7-9-16)18-11-10-17(14-20(18)22-21)24-13-12-23(3)4/h5-10,14,18-19,22H,11-13,15H2,1-4H3
InChIKeyZQXUBOXHKAZSSF-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.91
Rot. Bonds5

About 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine

2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine (PubChem CID 152752554) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine
PubChem CID152752554
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1=CCC2C(=C1)NC(C)(C)CC2c1ccccc1
InChIInChI=1S/C21H30N2O/c1-21(2)15-19(16-8-6-5-7-9-16)18-11-10-17(14-20(18)22-21)24-13-12-23(3)4/h5-10,14,18-19,22H,11-13,15H2,1-4H3
InChIKeyZQXUBOXHKAZSSF-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine 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 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine (CID 152752554) is 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOC1=CCC2C(=C1)NC(C)(C)CC2c1ccccc1.
What is the InChIKey of 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is ZQXUBOXHKAZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-21(2)15-19(16-8-6-5-7-9-16)18-11-10-17(14-20(18)22-21)24-13-12-23(3)4/h5-10,14,18-19,22H,11-13,15H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine?
2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 326.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4-phenyl-3,4,4a,5-tetrahydro-1H-quinolin-7-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 152752554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).