4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride

C17H26Cl2N2O — CID 3079741

IUPAC4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride
SMILESCC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1.Cl.Cl
InChIInChI=1S/C17H24N2O.2ClH/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19;;/h3-6H,7-13H2,1-2H3;2*1H
InChIKeyCGRAUZDHUOFDQL-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride

4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride (PubChem CID 3079741) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride
PubChem CID3079741
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride
SMILESCC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1.Cl.Cl
InChIInChI=1S/C17H24N2O.2ClH/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19;;/h3-6H,7-13H2,1-2H3;2*1H
InChIKeyCGRAUZDHUOFDQL-UHFFFAOYSA-N
XLogP3.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride 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-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride (CID 3079741) is 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride is CC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1.Cl.Cl.
What is the InChIKey of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride?
The InChIKey is CGRAUZDHUOFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.2ClH/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19;;/h3-6H,7-13H2,1-2H3;2*1H.
What are the key properties of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride?
4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 3079741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).