4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol

C14H21NO — CID 79316472

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-14(2,16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,16H,5,7,9-11H2,1-2H3
InChIKeyMRTLGXZOZVIDRS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol

4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol (PubChem CID 79316472) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
PubChem CID79316472
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-14(2,16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,16H,5,7,9-11H2,1-2H3
InChIKeyMRTLGXZOZVIDRS-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
CID 106711929
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
CID 82285615
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol (CID 79316472) is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol?
The InChIKey is MRTLGXZOZVIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,16H,5,7,9-11H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol?
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79316472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).