1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride

C11H14ClN — CID 6603531

IUPAC1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1=NC(C)Cc2ccccc21.Cl
InChIInChI=1S/C11H13N.ClH/c1-8-7-10-5-3-4-6-11(10)9(2)12-8;/h3-6,8H,7H2,1-2H3;1H
InChIKeyPRBDJXKSJWUOLU-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.86
Rot. Bonds

About 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride

1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 6603531) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride
PubChem CID6603531
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1=NC(C)Cc2ccccc21.Cl
InChIInChI=1S/C11H13N.ClH/c1-8-7-10-5-3-4-6-11(10)9(2)12-8;/h3-6,8H,7H2,1-2H3;1H
InChIKeyPRBDJXKSJWUOLU-UHFFFAOYSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-3,4-dihydroisoquinoline;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 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride (CID 6603531) is 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride is CC1=NC(C)Cc2ccccc21.Cl.
What is the InChIKey of 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is PRBDJXKSJWUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-8-7-10-5-3-4-6-11(10)9(2)12-8;/h3-6,8H,7H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride?
1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 6603531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).