[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone

C15H21ClN2O2 — CID 62174797

IUPAC[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-8-18(9-15(2,3)20-10)14(19)12-7-11(16)5-6-13(12)17-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZWAUMTULXXGZBW-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.02
Rot. Bonds2

About [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone

[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 62174797) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID62174797
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-8-18(9-15(2,3)20-10)14(19)12-7-11(16)5-6-13(12)17-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZWAUMTULXXGZBW-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(3aR,7aR)-2-[5-chloro-2-(methylamino)benzoyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812211
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
[5-chloro-2-(methylamino)phenyl]-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134700123
N-[3-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 95159007

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 62174797) is [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone is CNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1.
What is the InChIKey of [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is ZWAUMTULXXGZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-8-18(9-15(2,3)20-10)14(19)12-7-11(16)5-6-13(12)17-4/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62174797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).