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

C15H22N2O3 — CID 81213448

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CC(CO)OCC2C)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-13(8-18)20-9-11(17)2/h4-6,11,13,16,18H,7-9H2,1-3H3
InChIKeyXKPZLLVLIGKZDJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.26
Rot. Bonds3

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

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 81213448) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID81213448
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CC(CO)OCC2C)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-13(8-18)20-9-11(17)2/h4-6,11,13,16,18H,7-9H2,1-3H3
InChIKeyXKPZLLVLIGKZDJ-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81256333
(4-amino-3-bromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81202851
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-chloro-6-(methylamino)-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213227
[3-(chloromethyl)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203352
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone (CID 81213448) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CC(CO)OCC2C)cc1C.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is XKPZLLVLIGKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-13(8-18)20-9-11(17)2/h4-6,11,13,16,18H,7-9H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 81213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).