[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride

C15H25ClN2O2 — CID 138401564

IUPAC[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride
SMILESCC(C)CNC(C)(C)COC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-17-15(3,4)10-19-14(18)12-5-7-13(16)8-6-12;/h5-8,11,17H,9-10,16H2,1-4H3;1H
InChIKeyXJWSIERNFMHZIF-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.87
Rot. Bonds6

About [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride

[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride (PubChem CID 138401564) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride
PubChem CID138401564
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride
SMILESCC(C)CNC(C)(C)COC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-17-15(3,4)10-19-14(18)12-5-7-13(16)8-6-12;/h5-8,11,17H,9-10,16H2,1-4H3;1H
InChIKeyXJWSIERNFMHZIF-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(hexylamino)-2-methylpropyl] 4-aminobenzoate;hydrochloride
CID 138401565
[2-(hexan-3-ylamino)-2-methylpropyl] 4-aminobenzoate;hydrochloride
CID 138401563
2-methylpropyl 4-aminobenzoate
CID 23616374
ethyl 4-aminobenzoate
CID 2337
bis([2,2-dimethyl-3-(pentylamino)propyl] 4-aminobenzoate);sulfuric acid
CID 24843514
2,2-dimethylpropyl 4-(2,3-dimethylbutanoyl)benzoate
CID 138572836
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
[2-(benzoyloxymethyl)-2,4-dimethylpentyl] benzoate
CID 141233297
butane;ethyl 4-aminobenzoate
CID 67389405
4-(2,2-dimethylpropoxycarbonyl)benzoic acid;terephthalic acid
CID 67409597
trimethylsilylmethyl 4-aminobenzoate
CID 13238788
methoxymethyl 4-aminobenzoate
CID 65364414

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride?
The IUPAC name of [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride (CID 138401564) is [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride.
What is the SMILES notation for [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride?
The canonical SMILES for [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride is CC(C)CNC(C)(C)COC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride?
The InChIKey is XJWSIERNFMHZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)9-17-15(3,4)10-19-14(18)12-5-7-13(16)8-6-12;/h5-8,11,17H,9-10,16H2,1-4H3;1H.
What are the key properties of [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride?
[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 138401564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).