7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H14ClN — CID 45480214

IUPAC7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C10H13N.ClH/c1-8-2-3-9-4-5-11-7-10(9)6-8;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyKCQZPRLKNXADRM-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.06
Rot. Bonds

About 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45480214) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45480214
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C10H13N.ClH/c1-8-2-3-9-4-5-11-7-10(9)6-8;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyKCQZPRLKNXADRM-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45480214) is 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1ccc2c(c1)CNCC2.Cl.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is KCQZPRLKNXADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-8-2-3-9-4-5-11-7-10(9)6-8;/h2-3,6,11H,4-5,7H2,1H3;1H.
What are the key properties of 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45480214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).