6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol

C15H23NO — CID 90825830

IUPAC6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol
SMILESCN1c2ccc(CC(C)(C)C)cc2CCC1O
InChIInChI=1S/C15H23NO/c1-15(2,3)10-11-5-7-13-12(9-11)6-8-14(17)16(13)4/h5,7,9,14,17H,6,8,10H2,1-4H3
InChIKeyISGVALSSXQNAKP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol

6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol (PubChem CID 90825830) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol
PubChem CID90825830
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol
SMILESCN1c2ccc(CC(C)(C)C)cc2CCC1O
InChIInChI=1S/C15H23NO/c1-15(2,3)10-11-5-7-13-12(9-11)6-8-14(17)16(13)4/h5,7,9,14,17H,6,8,10H2,1-4H3
InChIKeyISGVALSSXQNAKP-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-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 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol?
The IUPAC name of 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol (CID 90825830) is 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol is CN1c2ccc(CC(C)(C)C)cc2CCC1O.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol?
The InChIKey is ISGVALSSXQNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)10-11-5-7-13-12(9-11)6-8-14(17)16(13)4/h5,7,9,14,17H,6,8,10H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol?
6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol is sourced from PubChem (CID 90825830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).