1-(4-aminophenyl)ethylurea

C9H13N3O — CID 43298080

IUPAC1-(4-aminophenyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O/c1-6(12-9(11)13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H3,11,12,13)
InChIKeyTWMUHRGACNZCNJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds2

About 1-(4-aminophenyl)ethylurea

1-(4-aminophenyl)ethylurea (PubChem CID 43298080) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)ethylurea
PubChem CID43298080
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(4-aminophenyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O/c1-6(12-9(11)13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H3,11,12,13)
InChIKeyTWMUHRGACNZCNJ-UHFFFAOYSA-N
XLogP1.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)ethylurea 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

N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate
CID 143227098
N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
CID 43297451

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)ethylurea?
The IUPAC name of 1-(4-aminophenyl)ethylurea (CID 43298080) is 1-(4-aminophenyl)ethylurea.
What is the SMILES notation for 1-(4-aminophenyl)ethylurea?
The canonical SMILES for 1-(4-aminophenyl)ethylurea is CC(NC(N)=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)ethylurea?
The InChIKey is TWMUHRGACNZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(12-9(11)13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H3,11,12,13).
What are the key properties of 1-(4-aminophenyl)ethylurea?
1-(4-aminophenyl)ethylurea has a molecular weight of 179.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethylurea is sourced from PubChem (CID 43298080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).