3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea

C11H17N3O — CID 79154837

IUPAC3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyDBCWUUBXEABVRB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds3

About 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea

3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea (PubChem CID 79154837) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea
PubChem CID79154837
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyDBCWUUBXEABVRB-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea (CID 79154837) is 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea?
The InChIKey is DBCWUUBXEABVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea?
3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 79154837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).