1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

C17H20N2O — CID 4983618

IUPAC1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCN(C)c1ccc(C2NCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)14-5-3-12(4-6-14)17-16-8-7-15(20)11-13(16)9-10-18-17/h3-8,11,17-18,20H,9-10H2,1-2H3
InChIKeyIZLOCYWYZTYDEO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 4983618) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID4983618
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCN(C)c1ccc(C2NCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)14-5-3-12(4-6-14)17-16-8-7-15(20)11-13(16)9-10-18-17/h3-8,11,17-18,20H,9-10H2,1-2H3
InChIKeyIZLOCYWYZTYDEO-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 4983618) is 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is CN(C)c1ccc(C2NCCc3cc(O)ccc32)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is IZLOCYWYZTYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)14-5-3-12(4-6-14)17-16-8-7-15(20)11-13(16)9-10-18-17/h3-8,11,17-18,20H,9-10H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 268.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 4983618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).