ethyl 2-[4-(5-aminopentoxy)phenyl]acetate

C15H23NO3 — CID 162639944

IUPACethyl 2-[4-(5-aminopentoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCCCCCN)cc1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)12-13-6-8-14(9-7-13)19-11-5-3-4-10-16/h6-9H,2-5,10-12,16H2,1H3
InChIKeySCISGILHQQHLPQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds9

About ethyl 2-[4-(5-aminopentoxy)phenyl]acetate

ethyl 2-[4-(5-aminopentoxy)phenyl]acetate (PubChem CID 162639944) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[4-(5-aminopentoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-aminopentoxy)phenyl]acetate
PubChem CID162639944
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[4-(5-aminopentoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCCCCCN)cc1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)12-13-6-8-14(9-7-13)19-11-5-3-4-10-16/h6-9H,2-5,10-12,16H2,1H3
InChIKeySCISGILHQQHLPQ-UHFFFAOYSA-N
XLogP2.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
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

ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
ethyl 2-[[2-(4-dodecoxyphenyl)acetyl]-methylamino]acetate
CID 14477214
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
CID 58447889
CID 58447889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-aminopentoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(5-aminopentoxy)phenyl]acetate (CID 162639944) is ethyl 2-[4-(5-aminopentoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(5-aminopentoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(5-aminopentoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OCCCCCN)cc1.
What is the InChIKey of ethyl 2-[4-(5-aminopentoxy)phenyl]acetate?
The InChIKey is SCISGILHQQHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-15(17)12-13-6-8-14(9-7-13)19-11-5-3-4-10-16/h6-9H,2-5,10-12,16H2,1H3.
What are the key properties of ethyl 2-[4-(5-aminopentoxy)phenyl]acetate?
ethyl 2-[4-(5-aminopentoxy)phenyl]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-aminopentoxy)phenyl]acetate is sourced from PubChem (CID 162639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).