2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid

C14H21NO4 — CID 64660569

IUPAC2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
SMILESCCOc1cccc(CCN)c1OC(CC)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-11(14(16)17)19-13-10(8-9-15)6-5-7-12(13)18-4-2/h5-7,11H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyPUNHOYCLEVWAJM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.83
Rot. Bonds8

About 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid

2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid (PubChem CID 64660569) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
PubChem CID64660569
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
SMILESCCOc1cccc(CCN)c1OC(CC)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-11(14(16)17)19-13-10(8-9-15)6-5-7-12(13)18-4-2/h5-7,11H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyPUNHOYCLEVWAJM-UHFFFAOYSA-N
XLogP1.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-cyclopropylpropanamide
CID 60905806
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid?
The IUPAC name of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid (CID 64660569) is 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid is CCOc1cccc(CCN)c1OC(CC)C(=O)O.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid?
The InChIKey is PUNHOYCLEVWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-11(14(16)17)19-13-10(8-9-15)6-5-7-12(13)18-4-2/h5-7,11H,3-4,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid?
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid is sourced from PubChem (CID 64660569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).