2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate

C14H19NO6 — CID 22708942

IUPAC2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCCOC(C)=O)c(N)c1
InChIInChI=1S/C14H19NO6/c1-10(16)18-5-7-20-12-3-4-14(13(15)9-12)21-8-6-19-11(2)17/h3-4,9H,5-8,15H2,1-2H3
InChIKeyKJMPJFBMQPSRCZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.15
Rot. Bonds8

About 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate

2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate (PubChem CID 22708942) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate.

Molecular Properties

Compound Name2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
PubChem CID22708942
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCCOC(C)=O)c(N)c1
InChIInChI=1S/C14H19NO6/c1-10(16)18-5-7-20-12-3-4-14(13(15)9-12)21-8-6-19-11(2)17/h3-4,9H,5-8,15H2,1-2H3
InChIKeyKJMPJFBMQPSRCZ-UHFFFAOYSA-N
XLogP1.15
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
CID 123723244
2-(4-amino-2,3-difluorophenoxy)ethyl acetate
CID 174748445
1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
1-[3-amino-4-[3-(4-methylphenoxy)propoxy]phenyl]ethanone
CID 82064182
2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
CID 143230864
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
CID 163667516
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate?
The IUPAC name of 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate (CID 22708942) is 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate.
What is the SMILES notation for 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate?
The canonical SMILES for 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate is CC(=O)OCCOc1ccc(OCCOC(C)=O)c(N)c1.
What is the InChIKey of 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate?
The InChIKey is KJMPJFBMQPSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-10(16)18-5-7-20-12-3-4-14(13(15)9-12)21-8-6-19-11(2)17/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate?
2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate has a molecular weight of 297.31 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate is sourced from PubChem (CID 22708942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).