1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol

C10H13NO — CID 22168006

IUPAC1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCC1NCCc2c(O)cccc21
InChIInChI=1S/C10H13NO/c1-7-8-3-2-4-10(12)9(8)5-6-11-7/h2-4,7,11-12H,5-6H2,1H3
InChIKeyGDTPXQYASOFJAG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.60
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol

1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 22168006) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID22168006
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCC1NCCc2c(O)cccc21
InChIInChI=1S/C10H13NO/c1-7-8-3-2-4-10(12)9(8)5-6-11-7/h2-4,7,11-12H,5-6H2,1H3
InChIKeyGDTPXQYASOFJAG-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 22168006) is 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol is CC1NCCc2c(O)cccc21.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is GDTPXQYASOFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-8-3-2-4-10(12)9(8)5-6-11-7/h2-4,7,11-12H,5-6H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 163.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 22168006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).