2-(2-amino-3-ethoxyphenoxy)ethenone

C10H11NO3 — CID 176524579

IUPAC2-(2-amino-3-ethoxyphenoxy)ethenone
SMILESCCOc1cccc(OC=C=O)c1N
InChIInChI=1S/C10H11NO3/c1-2-13-8-4-3-5-9(10(8)11)14-7-6-12/h3-5,7H,2,11H2,1H3
InChIKeyCLOPBKWQNHWNKD-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-amino-3-ethoxyphenoxy)ethenone

2-(2-amino-3-ethoxyphenoxy)ethenone (PubChem CID 176524579) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(2-amino-3-ethoxyphenoxy)ethenone.

Molecular Properties

Compound Name2-(2-amino-3-ethoxyphenoxy)ethenone
PubChem CID176524579
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(2-amino-3-ethoxyphenoxy)ethenone
SMILESCCOc1cccc(OC=C=O)c1N
InChIInChI=1S/C10H11NO3/c1-2-13-8-4-3-5-9(10(8)11)14-7-6-12/h3-5,7H,2,11H2,1H3
InChIKeyCLOPBKWQNHWNKD-UHFFFAOYSA-N
XLogP1.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-ethoxybenzonitrile
CID 82014474
2-amino-3-ethoxybenzamide
CID 70121071
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
2-ethoxy-6-(4-fluorophenoxy)aniline
CID 113392806
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-ethoxyaniline;molecular hydrogen
CID 144877970
2-ethoxyaniline;propan-2-one
CID 517004
3-(2-amino-3-ethoxyphenyl)sulfanylbutan-2-ol
CID 107770362
3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
CID 113392453
3-ethoxy-2-propan-2-ylaniline
CID 154678316
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-ethoxyphenoxy)ethenone?
The IUPAC name of 2-(2-amino-3-ethoxyphenoxy)ethenone (CID 176524579) is 2-(2-amino-3-ethoxyphenoxy)ethenone.
What is the SMILES notation for 2-(2-amino-3-ethoxyphenoxy)ethenone?
The canonical SMILES for 2-(2-amino-3-ethoxyphenoxy)ethenone is CCOc1cccc(OC=C=O)c1N.
What is the InChIKey of 2-(2-amino-3-ethoxyphenoxy)ethenone?
The InChIKey is CLOPBKWQNHWNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-13-8-4-3-5-9(10(8)11)14-7-6-12/h3-5,7H,2,11H2,1H3.
What are the key properties of 2-(2-amino-3-ethoxyphenoxy)ethenone?
2-(2-amino-3-ethoxyphenoxy)ethenone has a molecular weight of 193.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-ethoxyphenoxy)ethenone is sourced from PubChem (CID 176524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).