2-[2-(2-methylanilino)ethoxy]ethyl butanoate

C15H23NO3 — CID 102065090

IUPAC2-[2-(2-methylanilino)ethoxy]ethyl butanoate
SMILESCCCC(=O)OCCOCCNc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-3-6-15(17)19-12-11-18-10-9-16-14-8-5-4-7-13(14)2/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyYZGDVFXQSGSGTF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds9

About 2-[2-(2-methylanilino)ethoxy]ethyl butanoate

2-[2-(2-methylanilino)ethoxy]ethyl butanoate (PubChem CID 102065090) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(2-methylanilino)ethoxy]ethyl butanoate.

Molecular Properties

Compound Name2-[2-(2-methylanilino)ethoxy]ethyl butanoate
PubChem CID102065090
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(2-methylanilino)ethoxy]ethyl butanoate
SMILESCCCC(=O)OCCOCCNc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-3-6-15(17)19-12-11-18-10-9-16-14-8-5-4-7-13(14)2/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyYZGDVFXQSGSGTF-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2-methylanilino)ethoxy]ethyl 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

2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112590089
methyl 3-(2-methylanilino)propanoate
CID 12805940
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
2-ethylhexyl 3-(2-methylanilino)propanoate
CID 15918765
3-[(2-methylphenyl)methylamino]propyl butanoate
CID 82533269
N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
CID 106206284
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
CID 60717447
2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
CID 82532614
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylanilino)ethoxy]ethyl butanoate?
The IUPAC name of 2-[2-(2-methylanilino)ethoxy]ethyl butanoate (CID 102065090) is 2-[2-(2-methylanilino)ethoxy]ethyl butanoate.
What is the SMILES notation for 2-[2-(2-methylanilino)ethoxy]ethyl butanoate?
The canonical SMILES for 2-[2-(2-methylanilino)ethoxy]ethyl butanoate is CCCC(=O)OCCOCCNc1ccccc1C.
What is the InChIKey of 2-[2-(2-methylanilino)ethoxy]ethyl butanoate?
The InChIKey is YZGDVFXQSGSGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-6-15(17)19-12-11-18-10-9-16-14-8-5-4-7-13(14)2/h4-5,7-8,16H,3,6,9-12H2,1-2H3.
What are the key properties of 2-[2-(2-methylanilino)ethoxy]ethyl butanoate?
2-[2-(2-methylanilino)ethoxy]ethyl butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylanilino)ethoxy]ethyl butanoate is sourced from PubChem (CID 102065090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).