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

C13H19NO — CID 165467715

IUPAC2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCC(C)(C)C1Nc2ccccc2CC1O
InChIInChI=1S/C13H19NO/c1-13(2,3)12-11(15)8-9-6-4-5-7-10(9)14-12/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeySTBDCUBRSFVRPJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds

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

2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 165467715) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID165467715
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCC(C)(C)C1Nc2ccccc2CC1O
InChIInChI=1S/C13H19NO/c1-13(2,3)12-11(15)8-9-6-4-5-7-10(9)14-12/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeySTBDCUBRSFVRPJ-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 165467715) is 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol is CC(C)(C)C1Nc2ccccc2CC1O.
What is the InChIKey of 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is STBDCUBRSFVRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12-11(15)8-9-6-4-5-7-10(9)14-12/h4-7,11-12,14-15H,8H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol?
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 165467715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).