2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C10H14ClN — CID 45259959

IUPAC2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCN1CCc2ccccc2C1.Cl
InChIInChI=1S/C10H13N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H
InChIKeyZNQJFIFFHMOZQQ-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.10
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 45259959) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID45259959
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCN1CCc2ccccc2C1.Cl
InChIInChI=1S/C10H13N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H
InChIKeyZNQJFIFFHMOZQQ-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 45259959) is 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is CN1CCc2ccccc2C1.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is ZNQJFIFFHMOZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 45259959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).