ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate

C16H25NO3 — CID 83049068

IUPACethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccccc1CC(C)N)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-4-8-15(16(18)19-5-2)20-14-10-7-6-9-13(14)11-12(3)17/h6-7,9-10,12,15H,4-5,8,11,17H2,1-3H3
InChIKeyRHUMXESSNAWNGQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.69
Rot. Bonds8

About ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate

ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate (PubChem CID 83049068) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
PubChem CID83049068
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccccc1CC(C)N)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-4-8-15(16(18)19-5-2)20-14-10-7-6-9-13(14)11-12(3)17/h6-7,9-10,12,15H,4-5,8,11,17H2,1-3H3
InChIKeyRHUMXESSNAWNGQ-UHFFFAOYSA-N
XLogP2.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 60907832
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate?
The IUPAC name of ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate (CID 83049068) is ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate is CCCC(Oc1ccccc1CC(C)N)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate?
The InChIKey is RHUMXESSNAWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-8-15(16(18)19-5-2)20-14-10-7-6-9-13(14)11-12(3)17/h6-7,9-10,12,15H,4-5,8,11,17H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate?
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate has a molecular weight of 279.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate is sourced from PubChem (CID 83049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).