[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride

C13H20ClNO2 — CID 3064370

IUPAC[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride
SMILESCCNC(C)(C)COC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-14-13(2,3)10-16-12(15)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeyWUJSGBXRALWJEH-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.65
Rot. Bonds5

About [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride

[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride (PubChem CID 3064370) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride.

Molecular Properties

Compound Name[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride
PubChem CID3064370
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride
SMILESCCNC(C)(C)COC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-14-13(2,3)10-16-12(15)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeyWUJSGBXRALWJEH-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Hexylcaine
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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
2-Dimethylaminoethyl benzoate
CID 75158
4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride?
The IUPAC name of [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride (CID 3064370) is [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride.
What is the SMILES notation for [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride?
The canonical SMILES for [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride is CCNC(C)(C)COC(=O)c1ccccc1.Cl.
What is the InChIKey of [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride?
The InChIKey is WUJSGBXRALWJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-4-14-13(2,3)10-16-12(15)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H.
What are the key properties of [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride?
[2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-methylpropyl] benzoate;hydrochloride is sourced from PubChem (CID 3064370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).