(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C15H22N2O3 — CID 28690020

IUPAC(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCOc1ccc(N)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22N2O3/c1-4-19-14-6-5-12(16)7-13(14)15(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyDNCKJDLYMNAHQY-QWRGUYRKSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds3

About (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 28690020) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID28690020
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCOc1ccc(N)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22N2O3/c1-4-19-14-6-5-12(16)7-13(14)15(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyDNCKJDLYMNAHQY-QWRGUYRKSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65386859

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 28690020) is (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is CCOc1ccc(N)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is DNCKJDLYMNAHQY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-19-14-6-5-12(16)7-13(14)15(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 28690020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).