2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol

C14H21NO — CID 3280775

IUPAC2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
SMILESCc1ccc2c(n1)C(C(C)(C)O)CCC2C
InChIInChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyZKWQRKACMGTYMH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds1

About 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol

2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol (PubChem CID 3280775) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
PubChem CID3280775
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
SMILESCc1ccc2c(n1)C(C(C)(C)O)CCC2C
InChIInChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyZKWQRKACMGTYMH-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol with MolForge

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Related Compounds

2-Quinolineethanol
CID 70532
(R)-1-((1S,2S,3R,4aS,8aR)-1-(2-(6-ethylpyridin-2-yl)vinyl)-3-(hydroxymethyl)-decahydronaphthalen-2-yl)ethanol
CID 44416717
Cananodine
CID 10059898
(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
CID 56930756
(5S,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
CID 56930757
rel-(5R,8S)-5,6,7,8-Tetrahydro-alpha,alpha,2,5-tetramethyl-8-quinolinemethanol
CID 442529
2-[(5R,8R)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propan-2-ol
CID 1274478
1-(Quinolin-2-yl)propan-2-ol
CID 19432910
1-[6-(2-Hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
CID 11204145
1,1,1,3,3,3-Hexafluoro-2-(2-quinolinylmethyl)-2-propanol
CID 377662
1,1,1-Trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol
CID 102526334
2-Methyl-1-(quinolin-2-yl)propan-2-ol
CID 11367664

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol?
The IUPAC name of 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol (CID 3280775) is 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol?
The canonical SMILES for 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol is Cc1ccc2c(n1)C(C(C)(C)O)CCC2C.
What is the InChIKey of 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol?
The InChIKey is ZKWQRKACMGTYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol?
2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol is sourced from PubChem (CID 3280775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).