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

C14H21NO2 — CID 10767

IUPAC[1-(dimethylamino)-2-methylbutan-2-yl] benzoate
SMILESCCC(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
InChIKeyFDMBBCOBEAVDAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds5

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

[1-(dimethylamino)-2-methylbutan-2-yl] benzoate (PubChem CID 10767) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(dimethylamino)-2-methylbutan-2-yl] benzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-2-methylbutan-2-yl] benzoate
PubChem CID10767
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(dimethylamino)-2-methylbutan-2-yl] benzoate
SMILESCCC(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
InChIKeyFDMBBCOBEAVDAO-UHFFFAOYSA-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

Linalyl benzoate
CID 31353
Hexylcaine
CID 10770
Hexylcaine Hydrochloride
CID 102426
Meprylcaine
CID 4065
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Amyleine hydrochloride
CID 10766
Benzoclidine
CID 65630
Piperocaine Hydrochloride
CID 10781
Benzoylcholine chloride
CID 76298
Piperocaine
CID 10782
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The IUPAC name of [1-(dimethylamino)-2-methylbutan-2-yl] benzoate (CID 10767) is [1-(dimethylamino)-2-methylbutan-2-yl] benzoate.
What is the SMILES notation for [1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The canonical SMILES for [1-(dimethylamino)-2-methylbutan-2-yl] benzoate is CCC(C)(CN(C)C)OC(=O)c1ccccc1.
What is the InChIKey of [1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
The InChIKey is FDMBBCOBEAVDAO-UHFFFAOYSA-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.
What are the key properties of [1-(dimethylamino)-2-methylbutan-2-yl] benzoate?
[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 [1-(dimethylamino)-2-methylbutan-2-yl] benzoate is sourced from PubChem (CID 10767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).