4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline

C19H23NO — CID 2892952

IUPAC4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
SMILESCCOC1c2ccccc2NC(c2ccccc2)C1(C)C
InChIInChI=1S/C19H23NO/c1-4-21-18-15-12-8-9-13-16(15)20-17(19(18,2)3)14-10-6-5-7-11-14/h5-13,17-18,20H,4H2,1-3H3
InChIKeyKHTYNLROBTUVKB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.96
Rot. Bonds3

About 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline

4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline (PubChem CID 2892952) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
PubChem CID2892952
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
SMILESCCOC1c2ccccc2NC(c2ccccc2)C1(C)C
InChIInChI=1S/C19H23NO/c1-4-21-18-15-12-8-9-13-16(15)20-17(19(18,2)3)14-10-6-5-7-11-14/h5-13,17-18,20H,4H2,1-3H3
InChIKeyKHTYNLROBTUVKB-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2'-Aminobenzhydryloxy)tropane
CID 2143
5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 371501
9-Fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 6487063
(4aS,5R,10bS)-9-chloro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 10968573
(4aS,5R,10bS)-9-tert-butyl-5-(2-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11151953
(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163025
(4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163393
(4aS,5R,10bS)-9-isopropyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11185891
(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11300450
(4aS,5R,10bS)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11392225
2-((4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl)acetonitrile
CID 11472221
6-(3-Fluorophenyl)-2,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazine
CID 23435595

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The IUPAC name of 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline (CID 2892952) is 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The canonical SMILES for 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline is CCOC1c2ccccc2NC(c2ccccc2)C1(C)C.
What is the InChIKey of 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The InChIKey is KHTYNLROBTUVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-21-18-15-12-8-9-13-16(15)20-17(19(18,2)3)14-10-6-5-7-11-14/h5-13,17-18,20H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline has a molecular weight of 281.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 2892952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).