2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate

C12H18N2O4 — CID 123723244

IUPAC2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCCN)cc1N
InChIInChI=1S/C12H18N2O4/c1-9(15)16-6-7-18-12-3-2-10(8-11(12)14)17-5-4-13/h2-3,8H,4-7,13-14H2,1H3
InChIKeyZMSPUSPCHMEXAY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.55
Rot. Bonds7

About 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate

2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate (PubChem CID 123723244) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
PubChem CID123723244
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCCN)cc1N
InChIInChI=1S/C12H18N2O4/c1-9(15)16-6-7-18-12-3-2-10(8-11(12)14)17-5-4-13/h2-3,8H,4-7,13-14H2,1H3
InChIKeyZMSPUSPCHMEXAY-UHFFFAOYSA-N
XLogP0.55
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
CID 22708942
1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-(4-amino-2,3-difluorophenoxy)ethyl acetate
CID 174748445
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
2-[4-[[4-(2-acetyloxyethoxy)phenyl]methylsulfonylmethyl]phenoxy]ethyl acetate
CID 67511513
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
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate?
The IUPAC name of 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate (CID 123723244) is 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate.
What is the SMILES notation for 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate?
The canonical SMILES for 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate is CC(=O)OCCOc1ccc(OCCN)cc1N.
What is the InChIKey of 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate?
The InChIKey is ZMSPUSPCHMEXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(15)16-6-7-18-12-3-2-10(8-11(12)14)17-5-4-13/h2-3,8H,4-7,13-14H2,1H3.
What are the key properties of 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate?
2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate has a molecular weight of 254.29 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate is sourced from PubChem (CID 123723244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).