2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone

C13H18N2O4 — CID 102702500

IUPAC2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1ccc(N)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O4/c1-17-10-2-3-11(14)12(8-10)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJNLKSDJBHFYPHR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.51
Rot. Bonds4

About 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone

2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone (PubChem CID 102702500) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
PubChem CID102702500
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1ccc(N)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O4/c1-17-10-2-3-11(14)12(8-10)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJNLKSDJBHFYPHR-UHFFFAOYSA-N
XLogP0.51
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106955473
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
CID 107655594
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone (CID 102702500) is 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone is COc1ccc(N)c(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is JNLKSDJBHFYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-10-2-3-11(14)12(8-10)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone?
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 102702500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).