methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate

C17H20N2O2 — CID 115934758

IUPACmethyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate
SMILESCCc1ccc(N(C)c2c(N)cccc2C(=O)OC)cc1
InChIInChI=1S/C17H20N2O2/c1-4-12-8-10-13(11-9-12)19(2)16-14(17(20)21-3)6-5-7-15(16)18/h5-11H,4,18H2,1-3H3
InChIKeyLVLPXDHIVGMNJM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds4

About methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate

methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate (PubChem CID 115934758) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate
PubChem CID115934758
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate
SMILESCCc1ccc(N(C)c2c(N)cccc2C(=O)OC)cc1
InChIInChI=1S/C17H20N2O2/c1-4-12-8-10-13(11-9-12)19(2)16-14(17(20)21-3)6-5-7-15(16)18/h5-11H,4,18H2,1-3H3
InChIKeyLVLPXDHIVGMNJM-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 112579053
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
methyl 3-amino-2-[methyl(pentan-3-yl)amino]benzoate
CID 112578178
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783
methyl 3-amino-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzoate
CID 112663527
methyl 3-amino-2-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115934745
methyl 3-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103931
methyl 3-amino-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 115934191
3-amino-2-(4-methoxy-N-methylanilino)benzoic acid
CID 115934754
methyl 3-amino-2-[methyl(3,3,3-trifluoropropyl)amino]benzoate
CID 112579168
methyl 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 112578605
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate?
The IUPAC name of methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate (CID 115934758) is methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate.
What is the SMILES notation for methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate?
The canonical SMILES for methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate is CCc1ccc(N(C)c2c(N)cccc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate?
The InChIKey is LVLPXDHIVGMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-12-8-10-13(11-9-12)19(2)16-14(17(20)21-3)6-5-7-15(16)18/h5-11H,4,18H2,1-3H3.
What are the key properties of methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate?
methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(4-ethyl-N-methylanilino)benzoate is sourced from PubChem (CID 115934758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).