methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate

C17H20N2O2 — CID 63423395

IUPACmethyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
SMILESCCN(c1ccc(C)cc1)c1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(13-7-5-12(2)6-8-13)14-9-10-16(18)15(11-14)17(20)21-3/h5-11H,4,18H2,1-3H3
InChIKeyUXJSXYSHFLHNEP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate

methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate (PubChem CID 63423395) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
PubChem CID63423395
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
SMILESCCN(c1ccc(C)cc1)c1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(13-7-5-12(2)6-8-13)14-9-10-16(18)15(11-14)17(20)21-3/h5-11H,4,18H2,1-3H3
InChIKeyUXJSXYSHFLHNEP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
CID 63423207
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
CID 144556963
CID 144556963
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate?
The IUPAC name of methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate (CID 63423395) is methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate.
What is the SMILES notation for methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate?
The canonical SMILES for methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate is CCN(c1ccc(C)cc1)c1ccc(N)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate?
The InChIKey is UXJSXYSHFLHNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-19(13-7-5-12(2)6-8-13)14-9-10-16(18)15(11-14)17(20)21-3/h5-11H,4,18H2,1-3H3.
What are the key properties of methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate?
methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate is sourced from PubChem (CID 63423395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).