Methyl 3-amino-4-(pentan-3-ylamino)benzoate

HCID 61311526

Basic information

Standard SMILES
CCC(CC)Nc1ccc(C(=O)OC)cc1N
InChIKey
ADEGGSDEYFUBJH-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol

Names & identifiers

Preferred name
Methyl 3-amino-4-(pentan-3-ylamino)benzoate
IUPAC
methyl 3-amino-4-(pentan-3-ylamino)benzoate

Names & synonyms

METHYL 3-AMINO-4-(PENTAN-3-YLAMINO)BENZOATE762295-23-8methyl 3-amino-4-[(pentan-3-yl)amino]benzoateSCHEMBL15618544ADEGGSDEYFUBJH-UHFFFAOYSA-NAKOS010565555DB-431032CS-0342936G82488F7378243-Amino-4-(1-ethyl-propylamino)-benzoic acid methyl esterBenzoic acid, 3-amino-4-[(1-ethylpropyl)amino]-, methyl ester

Database identifiers

PubChem CID
61311526

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

8 records

Compound notes

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