1-(2-amino-4-methylphenyl)-3-cyclopropylurea

C11H15N3O — CID 62699288

IUPAC1-(2-amino-4-methylphenyl)-3-cyclopropylurea
SMILESCc1ccc(NC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C11H15N3O/c1-7-2-5-10(9(12)6-7)14-11(15)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H2,13,14,15)
InChIKeyKMSUJKFHLLBLHU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About 1-(2-amino-4-methylphenyl)-3-cyclopropylurea

1-(2-amino-4-methylphenyl)-3-cyclopropylurea (PubChem CID 62699288) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-cyclopropylurea
PubChem CID62699288
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-amino-4-methylphenyl)-3-cyclopropylurea
SMILESCc1ccc(NC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C11H15N3O/c1-7-2-5-10(9(12)6-7)14-11(15)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H2,13,14,15)
InChIKeyKMSUJKFHLLBLHU-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-methylphenyl)-3-cyclopropylurea
CID 62698146
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-cyclopropylurea (CID 62699288) is 1-(2-amino-4-methylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-cyclopropylurea is Cc1ccc(NC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-cyclopropylurea?
The InChIKey is KMSUJKFHLLBLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-2-5-10(9(12)6-7)14-11(15)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-cyclopropylurea?
1-(2-amino-4-methylphenyl)-3-cyclopropylurea has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 62699288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).