(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline

C17H19NO — CID 11288248

IUPAC(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H19NO/c1-2-19-17-12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16-18H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyDHZUCMCOXHWWHK-IAGOWNOFSA-N
MW253.34 g/mol
LogP4.32
Rot. Bonds3

About (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline

(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 11288248) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID11288248
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H19NO/c1-2-19-17-12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16-18H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyDHZUCMCOXHWWHK-IAGOWNOFSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 11288248) is (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline is CCO[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21.
What is the InChIKey of (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DHZUCMCOXHWWHK-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-17-12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16-18H,2,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 253.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 11288248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).