6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline

C19H23N — CID 82122673

IUPAC6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)C1CCc2ncc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H23N/c1-19(2,3)17-9-10-18-15(12-17)11-16(13-20-18)14-7-5-4-6-8-14/h4-8,11,13,17H,9-10,12H2,1-3H3
InChIKeyOCPITKVYCBODEE-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.90
Rot. Bonds1

About 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline

6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 82122673) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID82122673
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)C1CCc2ncc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H23N/c1-19(2,3)17-9-10-18-15(12-17)11-16(13-20-18)14-7-5-4-6-8-14/h4-8,11,13,17H,9-10,12H2,1-3H3
InChIKeyOCPITKVYCBODEE-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline (CID 82122673) is 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline is CC(C)(C)C1CCc2ncc(-c3ccccc3)cc2C1.
What is the InChIKey of 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is OCPITKVYCBODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)17-9-10-18-15(12-17)11-16(13-20-18)14-7-5-4-6-8-14/h4-8,11,13,17H,9-10,12H2,1-3H3.
What are the key properties of 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline?
6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 82122673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).