2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine

C13H19ClN2 — CID 110456896

IUPAC2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3
InChIKeyKUBWDMUOWDCRMF-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine

2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine (PubChem CID 110456896) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
PubChem CID110456896
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3
InChIKeyKUBWDMUOWDCRMF-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-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-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine (CID 110456896) is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine is CN(C)CCN1CCc2c(Cl)cccc2C1.
What is the InChIKey of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The InChIKey is KUBWDMUOWDCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 110456896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).