ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate

C15H24N2O2 — CID 112578209

IUPACethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate
SMILESCCCC(C)N(C)c1c(N)cccc1C(=O)OCC
InChIInChI=1S/C15H24N2O2/c1-5-8-11(3)17(4)14-12(15(18)19-6-2)9-7-10-13(14)16/h7,9-11H,5-6,8,16H2,1-4H3
InChIKeyOJEZHNMRNSNLFW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.07
Rot. Bonds6

About ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate

ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate (PubChem CID 112578209) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate
PubChem CID112578209
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate
SMILESCCCC(C)N(C)c1c(N)cccc1C(=O)OCC
InChIInChI=1S/C15H24N2O2/c1-5-8-11(3)17(4)14-12(15(18)19-6-2)9-7-10-13(14)16/h7,9-11H,5-6,8,16H2,1-4H3
InChIKeyOJEZHNMRNSNLFW-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate 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

methyl 3-amino-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzoate
CID 112663527
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
ethyl 3-amino-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 113476165
3-amino-2-[butan-2-yl(methyl)amino]benzoic acid
CID 112578036
methyl 3-amino-2-[methyl(pentan-3-yl)amino]benzoate
CID 112578178
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
methyl 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 112578605
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate?
The IUPAC name of ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate (CID 112578209) is ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate?
The canonical SMILES for ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate is CCCC(C)N(C)c1c(N)cccc1C(=O)OCC.
What is the InChIKey of ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate?
The InChIKey is OJEZHNMRNSNLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-8-11(3)17(4)14-12(15(18)19-6-2)9-7-10-13(14)16/h7,9-11H,5-6,8,16H2,1-4H3.
What are the key properties of ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate?
ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate has a molecular weight of 264.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate is sourced from PubChem (CID 112578209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).