[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate

C19H23ClN2O2 — CID 24835610

IUPAC[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate
SMILESCCN(CC)CC(OC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(4-2)13-18(14-5-9-16(20)10-6-14)24-19(23)15-7-11-17(21)12-8-15/h5-12,18H,3-4,13,21H2,1-2H3
InChIKeyVCSBVWYAOOHMOS-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.16
Rot. Bonds7

About [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate

[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate (PubChem CID 24835610) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate
PubChem CID24835610
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate
SMILESCCN(CC)CC(OC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(4-2)13-18(14-5-9-16(20)10-6-14)24-19(23)15-7-11-17(21)12-8-15/h5-12,18H,3-4,13,21H2,1-2H3
InChIKeyVCSBVWYAOOHMOS-UHFFFAOYSA-N
XLogP4.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate 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-(diethylamino)-1-phenylethyl] 4-tert-butylbenzoate;hydrochloride
CID 24835628
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl] benzoate
CID 57380249
[2-(4-chlorobenzoyl)oxy-2-phenylethyl]-dimethyl-propan-2-ylazanium
CID 24833241
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
ethyl 4-aminobenzoate
CID 2337
2,2-bis(diethylamino)ethyl 4-aminobenzoate
CID 175218250
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate?
The IUPAC name of [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate (CID 24835610) is [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate is CCN(CC)CC(OC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate?
The InChIKey is VCSBVWYAOOHMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-22(4-2)13-18(14-5-9-16(20)10-6-14)24-19(23)15-7-11-17(21)12-8-15/h5-12,18H,3-4,13,21H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate?
[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate has a molecular weight of 346.86 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate is sourced from PubChem (CID 24835610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).