(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol

C14H19NO — CID 175879148

IUPAC(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol
SMILESCC(C)(C)C1=NC(CO)Cc2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2,3)13-12-7-5-4-6-10(12)8-11(9-16)15-13/h4-7,11,16H,8-9H2,1-3H3
InChIKeyAZVJOFFGENTGQU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.44
Rot. Bonds1

About (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol

(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol (PubChem CID 175879148) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol
PubChem CID175879148
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol
SMILESCC(C)(C)C1=NC(CO)Cc2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2,3)13-12-7-5-4-6-10(12)8-11(9-16)15-13/h4-7,11,16H,8-9H2,1-3H3
InChIKeyAZVJOFFGENTGQU-UHFFFAOYSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol 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 (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol?
The IUPAC name of (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol (CID 175879148) is (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol?
The canonical SMILES for (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol is CC(C)(C)C1=NC(CO)Cc2ccccc21.
What is the InChIKey of (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol?
The InChIKey is AZVJOFFGENTGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)13-12-7-5-4-6-10(12)8-11(9-16)15-13/h4-7,11,16H,8-9H2,1-3H3.
What are the key properties of (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol?
(1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol has a molecular weight of 217.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 175879148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).