ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate

C16H25NO4 — CID 64669501

IUPACethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
SMILESCCNCc1ccc(OC(CC)C(=O)OCC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-5-13(16(18)20-7-3)21-14-9-8-12(11-17-6-2)10-15(14)19-4/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyTZTJSFVGAGTCOI-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.53
Rot. Bonds9

About ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate

ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate (PubChem CID 64669501) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
PubChem CID64669501
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
SMILESCCNCc1ccc(OC(CC)C(=O)OCC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-5-13(16(18)20-7-3)21-14-9-8-12(11-17-6-2)10-15(14)19-4/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyTZTJSFVGAGTCOI-UHFFFAOYSA-N
XLogP2.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
CID 64669906
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
CID 64668112
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine
CID 62388608
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
ethyl 2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoate
CID 64667305
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83035506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate?
The IUPAC name of ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate (CID 64669501) is ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate.
What is the SMILES notation for ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate?
The canonical SMILES for ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate is CCNCc1ccc(OC(CC)C(=O)OCC)c(OC)c1.
What is the InChIKey of ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate?
The InChIKey is TZTJSFVGAGTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-13(16(18)20-7-3)21-14-9-8-12(11-17-6-2)10-15(14)19-4/h8-10,13,17H,5-7,11H2,1-4H3.
What are the key properties of ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate?
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate is sourced from PubChem (CID 64669501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).