methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate

C16H18N2O3 — CID 61306349

IUPACmethyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
SMILESCOC(=O)c1cc(Nc2cc(C)ccc2OC)ccc1N
InChIInChI=1S/C16H18N2O3/c1-10-4-7-15(20-2)14(8-10)18-11-5-6-13(17)12(9-11)16(19)21-3/h4-9,18H,17H2,1-3H3
InChIKeyFPPPVPNLPJBIIN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds4

About methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate

methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate (PubChem CID 61306349) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
PubChem CID61306349
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
SMILESCOC(=O)c1cc(Nc2cc(C)ccc2OC)ccc1N
InChIInChI=1S/C16H18N2O3/c1-10-4-7-15(20-2)14(8-10)18-11-5-6-13(17)12(9-11)16(19)21-3/h4-9,18H,17H2,1-3H3
InChIKeyFPPPVPNLPJBIIN-UHFFFAOYSA-N
XLogP3.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(2,4-dimethylanilino)benzoate
CID 61306539
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
methyl 2-amino-5-(2,5-dibromoanilino)benzoate
CID 63423389
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
methyl 2-amino-5-(2-methylsulfanylanilino)benzoate
CID 107645816
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
methyl 2-amino-5-(3-fluoro-4-methylanilino)benzoate
CID 61306389
methyl 2-amino-5-(4-bromo-2,3-dichloroanilino)benzoate
CID 107792948
methyl 2-amino-5-(5-cyano-2-methylanilino)benzoate
CID 62103784
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate?
The IUPAC name of methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate (CID 61306349) is methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate.
What is the SMILES notation for methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate?
The canonical SMILES for methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate is COC(=O)c1cc(Nc2cc(C)ccc2OC)ccc1N.
What is the InChIKey of methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate?
The InChIKey is FPPPVPNLPJBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-7-15(20-2)14(8-10)18-11-5-6-13(17)12(9-11)16(19)21-3/h4-9,18H,17H2,1-3H3.
What are the key properties of methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate?
methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate is sourced from PubChem (CID 61306349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).