7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol

C15H19NO — CID 54342152

IUPAC7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol
SMILESCc1cc2cc(C)c(C)c(O)c2cc1N(C)C
InChIInChI=1S/C15H19NO/c1-9-6-12-7-10(2)14(16(4)5)8-13(12)15(17)11(9)3/h6-8,17H,1-5H3
InChIKeyTZSPBTWUQYPUSG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.54
Rot. Bonds1

About 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol

7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol (PubChem CID 54342152) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol.

Molecular Properties

Compound Name7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol
PubChem CID54342152
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol
SMILESCc1cc2cc(C)c(C)c(O)c2cc1N(C)C
InChIInChI=1S/C15H19NO/c1-9-6-12-7-10(2)14(16(4)5)8-13(12)15(17)11(9)3/h6-8,17H,1-5H3
InChIKeyTZSPBTWUQYPUSG-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol?
The IUPAC name of 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol (CID 54342152) is 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol.
What is the SMILES notation for 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol?
The canonical SMILES for 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol is Cc1cc2cc(C)c(C)c(O)c2cc1N(C)C.
What is the InChIKey of 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol?
The InChIKey is TZSPBTWUQYPUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-9-6-12-7-10(2)14(16(4)5)8-13(12)15(17)11(9)3/h6-8,17H,1-5H3.
What are the key properties of 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol?
7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol has a molecular weight of 229.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol is sourced from PubChem (CID 54342152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).