7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

C10H14N2O — CID 84656604

IUPAC7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)c(N)cc2C1
InChIInChI=1S/C10H14N2O/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6,11H2,1H3
InChIKeyUPYXOJPXUBJIJA-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.96
Rot. Bonds

About 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 84656604) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID84656604
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)c(N)cc2C1
InChIInChI=1S/C10H14N2O/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6,11H2,1H3
InChIKeyUPYXOJPXUBJIJA-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 84656604) is 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol is CN1CCc2cc(O)c(N)cc2C1.
What is the InChIKey of 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is UPYXOJPXUBJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6,11H2,1H3.
What are the key properties of 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 178.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 84656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).