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

C16H23ClN2O2 — CID 62174798

IUPAC[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-5-18-14-7-6-12(17)8-13(14)15(20)19-9-11(2)21-16(3,4)10-19/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyUXTCSTIITOJJDG-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.41
Rot. Bonds3

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

[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 62174798) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID62174798
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-5-18-14-7-6-12(17)8-13(14)15(20)19-9-11(2)21-16(3,4)10-19/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyUXTCSTIITOJJDG-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
(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-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 99833423

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 62174798) is [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone is CCNc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)(C)C1.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is UXTCSTIITOJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-18-14-7-6-12(17)8-13(14)15(20)19-9-11(2)21-16(3,4)10-19/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 310.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62174798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).