2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride

C15H25ClN2O2 — CID 157296462

IUPAC2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
SMILESCCNCCc1ccc(C(=O)OCCN(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-16-10-9-13-5-7-14(8-6-13)15(18)19-12-11-17(2)3;/h5-8,16H,4,9-12H2,1-3H3;1H
InChIKeyFEYZPEGJJWCFEP-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.98
Rot. Bonds8

About 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride

2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride (PubChem CID 157296462) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
PubChem CID157296462
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
SMILESCCNCCc1ccc(C(=O)OCCN(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-16-10-9-13-5-7-14(8-6-13)15(18)19-12-11-17(2)3;/h5-8,16H,4,9-12H2,1-3H3;1H
InChIKeyFEYZPEGJJWCFEP-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-(dimethylamino)ethoxy-[4-[2-(ethylamino)ethyl]phenyl]methanol
CID 121276162
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
2-(aminomethoxy)ethyl 4-propylbenzoate
CID 144917762
2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
CID 2912299
2-(dimethylamino)ethyl 4-(4-acetamidobutylamino)benzoate
CID 11573328
2-(2-phenylethylamino)ethyl benzoate
CID 82532113

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride (CID 157296462) is 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride is CCNCCc1ccc(C(=O)OCCN(C)C)cc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride?
The InChIKey is FEYZPEGJJWCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-16-10-9-13-5-7-14(8-6-13)15(18)19-12-11-17(2)3;/h5-8,16H,4,9-12H2,1-3H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride?
2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride is sourced from PubChem (CID 157296462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).