2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride

C19H22ClFN2 — CID 21154554

IUPAC2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.Cl
InChIInChI=1S/C19H21FN2.ClH/c1-22(2)11-10-17-13-14-6-3-4-9-18(14)19(21-17)15-7-5-8-16(20)12-15;/h3-9,12,17H,10-11,13H2,1-2H3;1H
InChIKeyYEFOAOQEWPAWKY-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.96
Rot. Bonds4

About 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride

2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride (PubChem CID 21154554) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
PubChem CID21154554
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.Cl
InChIInChI=1S/C19H21FN2.ClH/c1-22(2)11-10-17-13-14-6-3-4-9-18(14)19(21-17)15-7-5-8-16(20)12-15;/h3-9,12,17H,10-11,13H2,1-2H3;1H
InChIKeyYEFOAOQEWPAWKY-UHFFFAOYSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride 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-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride (CID 21154554) is 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride is CN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.Cl.
What is the InChIKey of 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is YEFOAOQEWPAWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2.ClH/c1-22(2)11-10-17-13-14-6-3-4-9-18(14)19(21-17)15-7-5-8-16(20)12-15;/h3-9,12,17H,10-11,13H2,1-2H3;1H.
What are the key properties of 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride?
2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 21154554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).