[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate

C14H21NO2 — CID 6604265

IUPAC[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate
SMILESCC[C@](C)(CN(C)C)OC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3/t14-/m1/s1
InChIKeyFDMBBCOBEAVDAO-CQSZACIVSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds5

About [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate

[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate (PubChem CID 6604265) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate
PubChem CID6604265
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate
SMILESCC[C@](C)(CN(C)C)OC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3/t14-/m1/s1
InChIKeyFDMBBCOBEAVDAO-CQSZACIVSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexylcaine
CID 10770
Linalyl benzoate
CID 31353
Amylocaine
CID 10767
Meprylcaine
CID 4065
Hexylcaine Hydrochloride
CID 102426
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Benzoclidine
CID 65630
Amyleine hydrochloride
CID 10766
Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoylcholine chloride
CID 76298
Tetraethylammonium benzoate
CID 85637

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The IUPAC name of [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate (CID 6604265) is [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate.
What is the SMILES notation for [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The canonical SMILES for [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate is CC[C@](C)(CN(C)C)OC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The InChIKey is FDMBBCOBEAVDAO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
[(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate has a molecular weight of 235.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dimethylamino)-2-methylbutan-2-yl] benzoate is sourced from PubChem (CID 6604265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).