[2-methyl-2-(propylamino)propyl] benzoate

C14H21NO2 — CID 4065

💊View drug profile → meprylcaine
IUPAC[2-methyl-2-(propylamino)propyl] benzoate
SMILESCCCNC(C)(C)COC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyVXJABHHJLXLNMP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds6

About [2-methyl-2-(propylamino)propyl] benzoate

[2-methyl-2-(propylamino)propyl] benzoate (PubChem CID 4065) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-2-(propylamino)propyl] benzoate.

Molecular Properties

Compound Name[2-methyl-2-(propylamino)propyl] benzoate
PubChem CID4065
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-methyl-2-(propylamino)propyl] benzoate
SMILESCCCNC(C)(C)COC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyVXJABHHJLXLNMP-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benfluorex
CID 2318
Hexylcaine
CID 10770
Benfluorex hydrochloride
CID 198015
Amylocaine
CID 10767
Hexylcaine Hydrochloride
CID 102426
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Amyleine hydrochloride
CID 10766
Benzoylcholine chloride
CID 76298
4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
2-Propanol, 1-(cyclohexylamino)-, 2-benzoate, (S)-
CID 6604266
Benfluorex, (S)-
CID 6604374

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(propylamino)propyl] benzoate?
The IUPAC name of [2-methyl-2-(propylamino)propyl] benzoate (CID 4065) is [2-methyl-2-(propylamino)propyl] benzoate.
What is the SMILES notation for [2-methyl-2-(propylamino)propyl] benzoate?
The canonical SMILES for [2-methyl-2-(propylamino)propyl] benzoate is CCCNC(C)(C)COC(=O)c1ccccc1.
What is the InChIKey of [2-methyl-2-(propylamino)propyl] benzoate?
The InChIKey is VXJABHHJLXLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of [2-methyl-2-(propylamino)propyl] benzoate?
[2-methyl-2-(propylamino)propyl] benzoate has a molecular weight of 235.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(propylamino)propyl] benzoate is sourced from PubChem (CID 4065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).