1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate

HCID 26427

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14055-89-1
Standard SMILES: CC(C)CNC(C)(C)COC(=O)c1ccccc1
InChIKey: YGSFZBYOMFZJPV-UHFFFAOYSA-N
Molecular formula: C15H23NO2
Average molar mass: 249.35 g/mol
Monoisotopic mass: 249.17287898

Names & identifiers

Preferred name: 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate
IUPAC: [2-methyl-2-(2-methylpropylamino)propyl] benzoate
English name: [2-methyl-2-(2-methylpropylamino)propyl] benzoate
Molecular formula: C15H23NO2
Molecular weight: 0

Names & synonyms

ISOBUCAINE14055-89-12XV8GIV746DTXSID20161440RefChem:1056905DTXCID80839311-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate[2-methyl-2-(2-methylpropylamino)propyl] benzoateUNII-2XV8GIV7462-(Isobutylamino)-2-methylpropyl benzoate2-methyl-2-[(2-methylpropyl)amino]propyl benzoateCHEMBL2111069

Show more names

Benzoic acid 2-(isobutylamino)-2-methylpropyl ester

SCHEMBL29353890Q183852082-(ISOBUTYLAMINO)-2-METHYL-1-PROPANOL BENZOATE (ESTER)1-PROPANOL, 2-METHYL-2-((2-METHYLPROPYL)AMINO)-, BENZOATE (ESTER)

Database identifiers

CAS: 14055-89-1
PubChem CID: 26427
DTXSID: DTXSID20161440
ChEMBL: CHEMBL2111069
UNII: 2XV8GIV746
Nikkaji: J8.478F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 255

Physicochemical properties

FDA UNII: 2 XV8GIV746 · 2XV8GIV746

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…