[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone

C15H22N2O3 — CID 102936157

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-11(2)20-13(8-17)9-18/h4-6,11,13,16,18H,7-9H2,1-3H3
InChIKeyGYCHWNUGXJQVRC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.26
Rot. Bonds3

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 102936157) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID102936157
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-11(2)20-13(8-17)9-18/h4-6,11,13,16,18H,7-9H2,1-3H3
InChIKeyGYCHWNUGXJQVRC-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)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 102936109
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 81213448
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone
CID 102934385
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone (CID 102936157) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CC(C)OC(CO)C2)cc1C.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is GYCHWNUGXJQVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-12(4-5-14(10)16-3)15(19)17-7-11(2)20-13(8-17)9-18/h4-6,11,13,16,18H,7-9H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone?
[2-(hydroxymethyl)-6-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)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 102936157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).