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

C15H23NO — CID 55184388

IUPAC3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
SMILESCCOc1ccc2c(c1)CC(C(C)(C)C)CN2
InChIInChI=1S/C15H23NO/c1-5-17-13-6-7-14-11(9-13)8-12(10-16-14)15(2,3)4/h6-7,9,12,16H,5,8,10H2,1-4H3
InChIKeyWEOQQANPKRTMBS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.72
Rot. Bonds2

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

3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 55184388) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
PubChem CID55184388
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
SMILESCCOc1ccc2c(c1)CC(C(C)(C)C)CN2
InChIInChI=1S/C15H23NO/c1-5-17-13-6-7-14-11(9-13)8-12(10-16-14)15(2,3)4/h6-7,9,12,16H,5,8,10H2,1-4H3
InChIKeyWEOQQANPKRTMBS-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 63386279
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 164664284
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
6-methoxy-1,2,3,4-tetrahydroquinolin-3-ol;hydrochloride
CID 105469275
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline (CID 55184388) is 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline is CCOc1ccc2c(c1)CC(C(C)(C)C)CN2.
What is the InChIKey of 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is WEOQQANPKRTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-17-13-6-7-14-11(9-13)8-12(10-16-14)15(2,3)4/h6-7,9,12,16H,5,8,10H2,1-4H3.
What are the key properties of 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline?
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55184388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).