Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester

C11H16N2O2 — CID 24782

IUPAC2-(dimethylamino)ethyl 4-aminobenzoate
SMILESCN(C)CCOC(=O)C1=CC=C(C=C1)N
InChIInChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyMXBCQLLLJGRMJI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds5

About Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester

Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester (PubChem CID 24782) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-aminobenzoate.

Molecular Properties

Compound NameBenzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester
PubChem CID24782
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(dimethylamino)ethyl 4-aminobenzoate
SMILESCN(C)CCOC(=O)C1=CC=C(C=C1)N
InChIInChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyMXBCQLLLJGRMJI-UHFFFAOYSA-N
XLogP1.30
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity199

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzocaine
CID 2337
Procaine
CID 4914
Padimate-O
CID 30541
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Tetracaine
CID 5411
Chloroprocaine
CID 8612
Procaine Hydrochloride
CID 5795
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695

Frequently Asked Questions

What is the IUPAC name of Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester?
The IUPAC name of Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester (CID 24782) is 2-(dimethylamino)ethyl 4-aminobenzoate.
What is the SMILES notation for Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester?
The canonical SMILES for Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester is CN(C)CCOC(=O)C1=CC=C(C=C1)N.
What is the InChIKey of Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester?
The InChIKey is MXBCQLLLJGRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3.
What are the key properties of Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester?
Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester has a molecular weight of 208.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Benzoic acid, 4-amino-, 2-(dimethylamino)ethyl ester is sourced from PubChem (CID 24782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).