8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline

C17H19NO — CID 81224095

IUPAC8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCCOc1ccc(-c2cccc3c2NCCC3)cc1
InChIInChI=1S/C17H19NO/c1-2-19-15-10-8-13(9-11-15)16-7-3-5-14-6-4-12-18-17(14)16/h3,5,7-11,18H,2,4,6,12H2,1H3
InChIKeyREMMWWXIELDCNK-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.11
Rot. Bonds3

About 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline

8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224095) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224095
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCCOc1ccc(-c2cccc3c2NCCC3)cc1
InChIInChI=1S/C17H19NO/c1-2-19-15-10-8-13(9-11-15)16-7-3-5-14-6-4-12-18-17(14)16/h3,5,7-11,18H,2,4,6,12H2,1H3
InChIKeyREMMWWXIELDCNK-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224095) is 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline is CCOc1ccc(-c2cccc3c2NCCC3)cc1.
What is the InChIKey of 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is REMMWWXIELDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-15-10-8-13(9-11-15)16-7-3-5-14-6-4-12-18-17(14)16/h3,5,7-11,18H,2,4,6,12H2,1H3.
What are the key properties of 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 253.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).