4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline

C19H23NO — CID 134338695

IUPAC4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCNc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C19H23NO/c1-19(2,3)17-11-12-20-18-10-9-15(13-16(17)18)21-14-7-5-4-6-8-14/h4-10,13,17,20H,11-12H2,1-3H3
InChIKeySPVAGFQLDWSRNK-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.42
Rot. Bonds2

About 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline

4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 134338695) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline
PubChem CID134338695
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCNc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C19H23NO/c1-19(2,3)17-11-12-20-18-10-9-15(13-16(17)18)21-14-7-5-4-6-8-14/h4-10,13,17,20H,11-12H2,1-3H3
InChIKeySPVAGFQLDWSRNK-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline (CID 134338695) is 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCNc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is SPVAGFQLDWSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)17-11-12-20-18-10-9-15(13-16(17)18)21-14-7-5-4-6-8-14/h4-10,13,17,20H,11-12H2,1-3H3.
What are the key properties of 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline?
4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 134338695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).