Ethyl 3-amino-4-[[3-(dimethylamino)propyl]amino]benzoate

Substructure search Find similar structures

Basic information

CAS: 262357-41-5
Standard SMILES: CCOC(=O)c1ccc(NCCCN(C)C)c(N)c1
InChIKey: QBAFFXQSHOTYOK-UHFFFAOYSA-N
Molecular formula: C14H23N3O2
Average molar mass: 265.35 g/mol
Monoisotopic mass: 265.17902698

Names & identifiers

Preferred name: Ethyl 3-amino-4-[[3-(dimethylamino)propyl]amino]benzoate
IUPAC: ethyl 3-amino-4-[3-(dimethylamino)propylamino]benzoate

Names & synonyms

Ethyl 3-amino-4-[[3-(dimethylamino)propyl]amino]benzoateethyl 3-amino-4-{[3-(dimethylamino)propyl]amino}benzoateSCHEMBL7970533QBAFFXQSHOTYOK-UHFFFAOYSA-NDTXSID001202649AKOS010559203262357-41-5

Database identifiers

CAS: 262357-41-5
PubChem CID: 22013774
DTXSID: DTXSID001202649

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 271

Related reactions

2 records

New reaction record

HRID 1532658As productuspto-grants-2001_03

HRID 1532659As reactantuspto-grants-2001_03

Compound notes

Loading…