1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea

C11H17N3O — CID 79153610

IUPAC1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-4-14(11(15)13(2)3)10-8-6-5-7-9(10)12/h5-8H,4,12H2,1-3H3
InChIKeyNJBMLSOGPTYZDE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.78
Rot. Bonds2

About 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea

1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea (PubChem CID 79153610) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
PubChem CID79153610
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-4-14(11(15)13(2)3)10-8-6-5-7-9(10)12/h5-8H,4,12H2,1-3H3
InChIKeyNJBMLSOGPTYZDE-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
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N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104517317
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477
N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 62276098
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea?
The IUPAC name of 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea (CID 79153610) is 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea is CCN(C(=O)N(C)C)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea?
The InChIKey is NJBMLSOGPTYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-14(11(15)13(2)3)10-8-6-5-7-9(10)12/h5-8H,4,12H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea?
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 79153610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).