ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate

C15H23NO3 — CID 64669299

IUPACethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
SMILESCCNCc1ccccc1OC(CC)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-13(15(17)18-6-3)19-14-10-8-7-9-12(14)11-16-5-2/h7-10,13,16H,4-6,11H2,1-3H3
InChIKeyXJONPAURSMLFTO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds8

About ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate

ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate (PubChem CID 64669299) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
PubChem CID64669299
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
SMILESCCNCc1ccccc1OC(CC)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-13(15(17)18-6-3)19-14-10-8-7-9-12(14)11-16-5-2/h7-10,13,16H,4-6,11H2,1-3H3
InChIKeyXJONPAURSMLFTO-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
CID 70506701
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
CID 64661650
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate?
The IUPAC name of ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate (CID 64669299) is ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate is CCNCc1ccccc1OC(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate?
The InChIKey is XJONPAURSMLFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(15(17)18-6-3)19-14-10-8-7-9-12(14)11-16-5-2/h7-10,13,16H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate?
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate is sourced from PubChem (CID 64669299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).