ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate

C17H27NO3 — CID 64668112

IUPACethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
SMILESCCNCc1cc(C)c(OC(CC)C(=O)OCC)c(C)c1
InChIInChI=1S/C17H27NO3/c1-6-15(17(19)20-8-3)21-16-12(4)9-14(10-13(16)5)11-18-7-2/h9-10,15,18H,6-8,11H2,1-5H3
InChIKeyLCQCIVDQSMZGFV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.13
Rot. Bonds8

About ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate

ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate (PubChem CID 64668112) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
PubChem CID64668112
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
SMILESCCNCc1cc(C)c(OC(CC)C(=O)OCC)c(C)c1
InChIInChI=1S/C17H27NO3/c1-6-15(17(19)20-8-3)21-16-12(4)9-14(10-13(16)5)11-18-7-2/h9-10,15,18H,6-8,11H2,1-5H3
InChIKeyLCQCIVDQSMZGFV-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]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 (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
2-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]butanoic acid
CID 64669918
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)butanoate
CID 112620595
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate
CID 67576525
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
CID 62899819
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]pentanoic acid
CID 107742259

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate?
The IUPAC name of ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate (CID 64668112) is ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate.
What is the SMILES notation for ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate?
The canonical SMILES for ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate is CCNCc1cc(C)c(OC(CC)C(=O)OCC)c(C)c1.
What is the InChIKey of ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate?
The InChIKey is LCQCIVDQSMZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-15(17(19)20-8-3)21-16-12(4)9-14(10-13(16)5)11-18-7-2/h9-10,15,18H,6-8,11H2,1-5H3.
What are the key properties of ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate?
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate has a molecular weight of 293.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate is sourced from PubChem (CID 64668112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).