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

C10H13NO2 — CID 53402816

IUPAC1-(4-amino-2-ethoxyphenyl)ethanone
SMILESCCOc1cc(N)ccc1C(C)=O
InChIInChI=1S/C10H13NO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3,11H2,1-2H3
InChIKeyXREKDMAUZACTHX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.87
Rot. Bonds3

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

1-(4-amino-2-ethoxyphenyl)ethanone (PubChem CID 53402816) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-amino-2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-ethoxyphenyl)ethanone
PubChem CID53402816
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-amino-2-ethoxyphenyl)ethanone
SMILESCCOc1cc(N)ccc1C(C)=O
InChIInChI=1S/C10H13NO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3,11H2,1-2H3
InChIKeyXREKDMAUZACTHX-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
4-amino-2-ethoxyphenol
CID 12856010
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
CID 171034047
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-ethoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-ethoxyphenyl)ethanone (CID 53402816) is 1-(4-amino-2-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-ethoxyphenyl)ethanone is CCOc1cc(N)ccc1C(C)=O.
What is the InChIKey of 1-(4-amino-2-ethoxyphenyl)ethanone?
The InChIKey is XREKDMAUZACTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3,11H2,1-2H3.
What are the key properties of 1-(4-amino-2-ethoxyphenyl)ethanone?
1-(4-amino-2-ethoxyphenyl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-ethoxyphenyl)ethanone is sourced from PubChem (CID 53402816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).