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

C15H24ClNO2 — CID 3064366

IUPAC[2-(butylamino)-2-methylpropyl] benzoate;hydrochloride
SMILESCCCCNC(C)(C)COC(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-4-5-11-16-15(2,3)12-18-14(17)13-9-7-6-8-10-13;/h6-10,16H,4-5,11-12H2,1-3H3;1H
InChIKeyLBYFAQFDVWWOLE-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.43
Rot. Bonds7

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

[2-(butylamino)-2-methylpropyl] benzoate;hydrochloride (PubChem CID 3064366) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride.

Molecular Properties

Compound Name[2-(butylamino)-2-methylpropyl] benzoate;hydrochloride
PubChem CID3064366
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name[2-(butylamino)-2-methylpropyl] benzoate;hydrochloride
SMILESCCCCNC(C)(C)COC(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-4-5-11-16-15(2,3)12-18-14(17)13-9-7-6-8-10-13;/h6-10,16H,4-5,11-12H2,1-3H3;1H
InChIKeyLBYFAQFDVWWOLE-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benfluorex
CID 2318
Hexylcaine
CID 10770
Benfluorex hydrochloride
CID 198015
Amylocaine
CID 10767
Meprylcaine
CID 4065
Hexylcaine Hydrochloride
CID 102426
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Amyleine hydrochloride
CID 10766
Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoylcholine chloride
CID 76298
Amydricaine
CID 12428

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride?
The IUPAC name of [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride (CID 3064366) is [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride.
What is the SMILES notation for [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride?
The canonical SMILES for [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride is CCCCNC(C)(C)COC(=O)c1ccccc1.Cl.
What is the InChIKey of [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride?
The InChIKey is LBYFAQFDVWWOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-4-5-11-16-15(2,3)12-18-14(17)13-9-7-6-8-10-13;/h6-10,16H,4-5,11-12H2,1-3H3;1H.
What are the key properties of [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride?
[2-(butylamino)-2-methylpropyl] benzoate;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride is sourced from PubChem (CID 3064366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).