methyl 2-amino-3-(2-ethylanilino)benzoate

C16H18N2O2 — CID 115544520

IUPACmethyl 2-amino-3-(2-ethylanilino)benzoate
SMILESCCc1ccccc1Nc1cccc(C(=O)OC)c1N
InChIInChI=1S/C16H18N2O2/c1-3-11-7-4-5-9-13(11)18-14-10-6-8-12(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyCVDHFVKAULSWRU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-amino-3-(2-ethylanilino)benzoate

methyl 2-amino-3-(2-ethylanilino)benzoate (PubChem CID 115544520) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-amino-3-(2-ethylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-ethylanilino)benzoate
PubChem CID115544520
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-amino-3-(2-ethylanilino)benzoate
SMILESCCc1ccccc1Nc1cccc(C(=O)OC)c1N
InChIInChI=1S/C16H18N2O2/c1-3-11-7-4-5-9-13(11)18-14-10-6-8-12(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyCVDHFVKAULSWRU-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-ethylanilino)benzamide
CID 113332482
methyl 2-amino-3-(4-ethylanilino)benzoate
CID 115544514
methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
methyl 2-amino-3-(4-methylanilino)benzoate
CID 113332500
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
methyl 2-amino-3-(3-fluoro-2-methylanilino)benzoate
CID 115545598
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
methyl 2-amino-3-(2,4-dichloroanilino)benzoate
CID 115544295
methyl 2-amino-3-(2,5-dibromoanilino)benzoate
CID 115545220
methyl 2-amino-3-[4-(cyanomethyl)anilino]benzoate
CID 115545835

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-ethylanilino)benzoate?
The IUPAC name of methyl 2-amino-3-(2-ethylanilino)benzoate (CID 115544520) is methyl 2-amino-3-(2-ethylanilino)benzoate.
What is the SMILES notation for methyl 2-amino-3-(2-ethylanilino)benzoate?
The canonical SMILES for methyl 2-amino-3-(2-ethylanilino)benzoate is CCc1ccccc1Nc1cccc(C(=O)OC)c1N.
What is the InChIKey of methyl 2-amino-3-(2-ethylanilino)benzoate?
The InChIKey is CVDHFVKAULSWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-11-7-4-5-9-13(11)18-14-10-6-8-12(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-ethylanilino)benzoate?
methyl 2-amino-3-(2-ethylanilino)benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-ethylanilino)benzoate is sourced from PubChem (CID 115544520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).