3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea

C11H17N3O — CID 43469006

IUPAC3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-8(2)14(3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3,(H,13,15)
InChIKeyLMPFIRRAWQOLFW-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea

3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea (PubChem CID 43469006) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
PubChem CID43469006
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-8(2)14(3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3,(H,13,15)
InChIKeyLMPFIRRAWQOLFW-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.14
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'}

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Related Compounds

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
CID 61347436
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
2-fluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183194
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 54955307
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea?
The IUPAC name of 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea (CID 43469006) is 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea?
The canonical SMILES for 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea is CC(C)N(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea?
The InChIKey is LMPFIRRAWQOLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14(3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3,(H,13,15).
What are the key properties of 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea?
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea has a molecular weight of 207.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea is sourced from PubChem (CID 43469006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).