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

C12H17NO3 — CID 116590820

IUPAC2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COCCN)cc1
InChIInChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(14)9-15-8-7-13/h3-6H,2,7-9,13H2,1H3
InChIKeyVFFGPENXMZSHKY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.24
Rot. Bonds7

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

2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone (PubChem CID 116590820) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
PubChem CID116590820
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COCCN)cc1
InChIInChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(14)9-15-8-7-13/h3-6H,2,7-9,13H2,1H3
InChIKeyVFFGPENXMZSHKY-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
CID 116577603
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone (CID 116590820) is 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)COCCN)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is VFFGPENXMZSHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(14)9-15-8-7-13/h3-6H,2,7-9,13H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone?
2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 116590820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).