methyl 2-amino-5-(4-propylanilino)benzoate

C17H20N2O2 — CID 63425762

IUPACmethyl 2-amino-5-(4-propylanilino)benzoate
SMILESCCCc1ccc(Nc2ccc(N)c(C(=O)OC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-5-7-13(8-6-12)19-14-9-10-16(18)15(11-14)17(20)21-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyGQRFRBIKXUZTMA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About methyl 2-amino-5-(4-propylanilino)benzoate

methyl 2-amino-5-(4-propylanilino)benzoate (PubChem CID 63425762) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-amino-5-(4-propylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-propylanilino)benzoate
PubChem CID63425762
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-amino-5-(4-propylanilino)benzoate
SMILESCCCc1ccc(Nc2ccc(N)c(C(=O)OC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-5-7-13(8-6-12)19-14-9-10-16(18)15(11-14)17(20)21-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyGQRFRBIKXUZTMA-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
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

methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073
methyl 2-amino-5-(3-fluoro-4-methylanilino)benzoate
CID 61306389
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
methyl 2-amino-5-(3-iodoanilino)benzoate
CID 63425538
methyl 2-amino-5-(3,5-dichloro-4-fluoroanilino)benzoate
CID 107577624
hexyl 2-amino-5-(4-aminoanilino)benzoate
CID 142593390
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
methyl 2-amino-5-(2,4-dimethylanilino)benzoate
CID 61306539
methyl 2-amino-5-(2,5-dibromoanilino)benzoate
CID 63423389
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
methyl 2-amino-5-(3-cyano-4-fluoroanilino)benzoate
CID 62316704

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-propylanilino)benzoate?
The IUPAC name of methyl 2-amino-5-(4-propylanilino)benzoate (CID 63425762) is methyl 2-amino-5-(4-propylanilino)benzoate.
What is the SMILES notation for methyl 2-amino-5-(4-propylanilino)benzoate?
The canonical SMILES for methyl 2-amino-5-(4-propylanilino)benzoate is CCCc1ccc(Nc2ccc(N)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 2-amino-5-(4-propylanilino)benzoate?
The InChIKey is GQRFRBIKXUZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-4-12-5-7-13(8-6-12)19-14-9-10-16(18)15(11-14)17(20)21-2/h5-11,19H,3-4,18H2,1-2H3.
What are the key properties of methyl 2-amino-5-(4-propylanilino)benzoate?
methyl 2-amino-5-(4-propylanilino)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-propylanilino)benzoate is sourced from PubChem (CID 63425762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).