[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone

C13H18N2O2 — CID 62173081

IUPAC[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCNc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(7-8-17-10)13(16)11-3-5-12(14-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyKHJFXSYHLDFXPG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.59
Rot. Bonds2

About [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone

[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 62173081) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
PubChem CID62173081
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCNc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(7-8-17-10)13(16)11-3-5-12(14-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyKHJFXSYHLDFXPG-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone (CID 62173081) is [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone is CNc1ccc(C(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is KHJFXSYHLDFXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-15(7-8-17-10)13(16)11-3-5-12(14-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone?
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 62173081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).