4-(diethylamino)butyl 4-aminobenzoate;hydrochloride

C15H25ClN2O2 — CID 131875080

IUPAC4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
SMILESCCN(CC)CCCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-17(4-2)11-5-6-12-19-15(18)13-7-9-14(16)10-8-13;/h7-10H,3-6,11-12,16H2,1-2H3;1H
InChIKeyZXKGSZDSZFCQHA-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.97
Rot. Bonds8

About 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride

4-(diethylamino)butyl 4-aminobenzoate;hydrochloride (PubChem CID 131875080) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
PubChem CID131875080
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
SMILESCCN(CC)CCCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-17(4-2)11-5-6-12-19-15(18)13-7-9-14(16)10-8-13;/h7-10H,3-6,11-12,16H2,1-2H3;1H
InChIKeyZXKGSZDSZFCQHA-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
bis[3-[ethyl(tridecyl)amino]propyl] benzene-1,4-dicarboxylate
CID 139953595
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
tetradecyl 4-aminobenzoate
CID 66970570
azane;butyl 4-aminobenzoate
CID 175088613
bis[3-(dihexylamino)propyl] benzene-1,4-dicarboxylate
CID 139956404
butyl 4-[5-(diethylamino)pentanoylamino]benzoate;hydrochloride
CID 54599614

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride?
The IUPAC name of 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride (CID 131875080) is 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride.
What is the SMILES notation for 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride?
The canonical SMILES for 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride is CCN(CC)CCCCOC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride?
The InChIKey is ZXKGSZDSZFCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-17(4-2)11-5-6-12-19-15(18)13-7-9-14(16)10-8-13;/h7-10H,3-6,11-12,16H2,1-2H3;1H.
What are the key properties of 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride?
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)butyl 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 131875080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).