6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 53408438

IUPAC6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCc1ccc2c(c1)CCNC2C(=O)O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-2-3-9-8(6-7)4-5-12-10(9)11(13)14;/h2-3,6,10,12H,4-5H2,1H3,(H,13,14);1H
InChIKeyNTOXCWOIHHEXER-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.69
Rot. Bonds1

About 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (PubChem CID 53408438) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
PubChem CID53408438
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCc1ccc2c(c1)CCNC2C(=O)O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-2-3-9-8(6-7)4-5-12-10(9)11(13)14;/h2-3,6,10,12H,4-5H2,1H3,(H,13,14);1H
InChIKeyNTOXCWOIHHEXER-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (CID 53408438) is 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is Cc1ccc2c(c1)CCNC2C(=O)O.Cl.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The InChIKey is NTOXCWOIHHEXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-7-2-3-9-8(6-7)4-5-12-10(9)11(13)14;/h2-3,6,10,12H,4-5H2,1H3,(H,13,14);1H.
What are the key properties of 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 53408438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).