1-methyl-3,4-dihydroisoquinoline;hydrochloride

C10H12ClN — CID 2724663

IUPAC1-methyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1=NCCc2ccccc21.Cl
InChIInChI=1S/C10H11N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5H,6-7H2,1H3;1H
InChIKeyPGUZPOADJHTSNH-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.47
Rot. Bonds

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

1-methyl-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 2724663) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 1-methyl-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-methyl-3,4-dihydroisoquinoline;hydrochloride
PubChem CID2724663
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name1-methyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1=NCCc2ccccc21.Cl
InChIInChI=1S/C10H11N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5H,6-7H2,1H3;1H
InChIKeyPGUZPOADJHTSNH-UHFFFAOYSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-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-methyl-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1-methyl-3,4-dihydroisoquinoline;hydrochloride (CID 2724663) is 1-methyl-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1-methyl-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1-methyl-3,4-dihydroisoquinoline;hydrochloride is CC1=NCCc2ccccc21.Cl.
What is the InChIKey of 1-methyl-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is PGUZPOADJHTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5H,6-7H2,1H3;1H.
What are the key properties of 1-methyl-3,4-dihydroisoquinoline;hydrochloride?
1-methyl-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 181.67 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 2724663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).