1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone

C11H16N2O2 — CID 82258591

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
SMILESCCOc1ccc(C(=O)CNC)cc1N
InChIInChI=1S/C11H16N2O2/c1-3-15-11-5-4-8(6-9(11)12)10(14)7-13-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyFUBQRBVURWFUKE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds5

About 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone

1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone (PubChem CID 82258591) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
PubChem CID82258591
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
SMILESCCOc1ccc(C(=O)CNC)cc1N
InChIInChI=1S/C11H16N2O2/c1-3-15-11-5-4-8(6-9(11)12)10(14)7-13-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyFUBQRBVURWFUKE-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
CID 82258583
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone (CID 82258591) is 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone is CCOc1ccc(C(=O)CNC)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is FUBQRBVURWFUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11-5-4-8(6-9(11)12)10(14)7-13-2/h4-6,13H,3,7,12H2,1-2H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone?
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82258591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).