(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone

C15H22N2O2 — CID 55083039

IUPAC(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc(C)ccc1NC
InChIInChI=1S/C15H22N2O2/c1-4-12-10-19-8-7-17(12)15(18)13-9-11(2)5-6-14(13)16-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyZLBOPOQLFJBIQH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds3

About (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone

(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone (PubChem CID 55083039) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
PubChem CID55083039
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc(C)ccc1NC
InChIInChI=1S/C15H22N2O2/c1-4-12-10-19-8-7-17(12)15(18)13-9-11(2)5-6-14(13)16-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyZLBOPOQLFJBIQH-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone (CID 55083039) is (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone is CCC1COCCN1C(=O)c1cc(C)ccc1NC.
What is the InChIKey of (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The InChIKey is ZLBOPOQLFJBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12-10-19-8-7-17(12)15(18)13-9-11(2)5-6-14(13)16-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3.
What are the key properties of (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 55083039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).