2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol

C15H23NO — CID 165488028

IUPAC2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCc1ccc2c(c1)CC(O)C(C(C)(C)C)N2
InChIInChI=1S/C15H23NO/c1-5-10-6-7-12-11(8-10)9-13(17)14(16-12)15(2,3)4/h6-8,13-14,16-17H,5,9H2,1-4H3
InChIKeyYIHWNVAFLGAUBO-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds1

About 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol

2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 165488028) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID165488028
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCc1ccc2c(c1)CC(O)C(C(C)(C)C)N2
InChIInChI=1S/C15H23NO/c1-5-10-6-7-12-11(8-10)9-13(17)14(16-12)15(2,3)4/h6-8,13-14,16-17H,5,9H2,1-4H3
InChIKeyYIHWNVAFLGAUBO-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 165488028) is 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol is CCc1ccc2c(c1)CC(O)C(C(C)(C)C)N2.
What is the InChIKey of 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is YIHWNVAFLGAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-10-6-7-12-11(8-10)9-13(17)14(16-12)15(2,3)4/h6-8,13-14,16-17H,5,9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 233.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 165488028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).