ethyl 2-[2-(1-aminopropyl)phenoxy]acetate

C13H19NO3 — CID 60877898

IUPACethyl 2-[2-(1-aminopropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(N)CC
InChIInChI=1S/C13H19NO3/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyZGIDMPDAIZIVGO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.04
Rot. Bonds6

About ethyl 2-[2-(1-aminopropyl)phenoxy]acetate

ethyl 2-[2-(1-aminopropyl)phenoxy]acetate (PubChem CID 60877898) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[2-(1-aminopropyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-aminopropyl)phenoxy]acetate
PubChem CID60877898
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-[2-(1-aminopropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(N)CC
InChIInChI=1S/C13H19NO3/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyZGIDMPDAIZIVGO-UHFFFAOYSA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-aminopropyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(1-aminopropyl)phenoxy]acetate (CID 60877898) is ethyl 2-[2-(1-aminopropyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(1-aminopropyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(1-aminopropyl)phenoxy]acetate is CCOC(=O)COc1ccccc1C(N)CC.
What is the InChIKey of ethyl 2-[2-(1-aminopropyl)phenoxy]acetate?
The InChIKey is ZGIDMPDAIZIVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11H,3-4,9,14H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-aminopropyl)phenoxy]acetate?
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate has a molecular weight of 237.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-aminopropyl)phenoxy]acetate is sourced from PubChem (CID 60877898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).