propyl 5-amino-2-(methylamino)benzoate

C11H16N2O2 — CID 100637694

IUPACpropyl 5-amino-2-(methylamino)benzoate
SMILESCCCOC(=O)c1cc(N)ccc1NC
InChIInChI=1S/C11H16N2O2/c1-3-6-15-11(14)9-7-8(12)4-5-10(9)13-2/h4-5,7,13H,3,6,12H2,1-2H3
InChIKeyCXWJMIDMCNDTEY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.88
Rot. Bonds4

About propyl 5-amino-2-(methylamino)benzoate

propyl 5-amino-2-(methylamino)benzoate (PubChem CID 100637694) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl 5-amino-2-(methylamino)benzoate.

Molecular Properties

Compound Namepropyl 5-amino-2-(methylamino)benzoate
PubChem CID100637694
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepropyl 5-amino-2-(methylamino)benzoate
SMILESCCCOC(=O)c1cc(N)ccc1NC
InChIInChI=1S/C11H16N2O2/c1-3-6-15-11(14)9-7-8(12)4-5-10(9)13-2/h4-5,7,13H,3,6,12H2,1-2H3
InChIKeyCXWJMIDMCNDTEY-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.88
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

propyl 5-amino-2-(ethylamino)benzoate
CID 100637868
propyl 5-amino-2-(propylamino)benzoate
CID 100638070
propyl 5-amino-2-(2-ethoxyanilino)benzoate
CID 100648721
hexyl 2-acetamido-5-aminobenzoate
CID 157010770
propyl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 100646777
5-amino-2-(methylamino)benzoic acid
CID 19006283
propyl 5-amino-2-[3-(trifluoromethyl)anilino]benzoate
CID 100647977
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 5-amino-2-(butylamino)benzoate
CID 61306499
2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521
5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
2-propoxyethyl 5-amino-2-bromobenzoate
CID 63686907

Frequently Asked Questions

What is the IUPAC name of propyl 5-amino-2-(methylamino)benzoate?
The IUPAC name of propyl 5-amino-2-(methylamino)benzoate (CID 100637694) is propyl 5-amino-2-(methylamino)benzoate.
What is the SMILES notation for propyl 5-amino-2-(methylamino)benzoate?
The canonical SMILES for propyl 5-amino-2-(methylamino)benzoate is CCCOC(=O)c1cc(N)ccc1NC.
What is the InChIKey of propyl 5-amino-2-(methylamino)benzoate?
The InChIKey is CXWJMIDMCNDTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-6-15-11(14)9-7-8(12)4-5-10(9)13-2/h4-5,7,13H,3,6,12H2,1-2H3.
What are the key properties of propyl 5-amino-2-(methylamino)benzoate?
propyl 5-amino-2-(methylamino)benzoate has a molecular weight of 208.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-amino-2-(methylamino)benzoate is sourced from PubChem (CID 100637694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).