4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol

C12H18N2O — CID 105459336

IUPAC4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCN(C)CC1CNCc2c(O)cccc21
InChIInChI=1S/C12H18N2O/c1-14(2)8-9-6-13-7-11-10(9)4-3-5-12(11)15/h3-5,9,13,15H,6-8H2,1-2H3
InChIKeyGKYVQGGZTZPCCH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.14
Rot. Bonds2

About 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol

4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105459336) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105459336
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCN(C)CC1CNCc2c(O)cccc21
InChIInChI=1S/C12H18N2O/c1-14(2)8-9-6-13-7-11-10(9)4-3-5-12(11)15/h3-5,9,13,15H,6-8H2,1-2H3
InChIKeyGKYVQGGZTZPCCH-UHFFFAOYSA-N
XLogP1.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105459336) is 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol is CN(C)CC1CNCc2c(O)cccc21.
What is the InChIKey of 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is GKYVQGGZTZPCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)8-9-6-13-7-11-10(9)4-3-5-12(11)15/h3-5,9,13,15H,6-8H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 206.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).