1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea

C15H23N3O — CID 79154554

IUPAC1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
SMILESCCN(CC)C(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-17(4-2)15(19)18(14-8-9-14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyGIUJDRYASGNOIV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds5

About 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea

1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea (PubChem CID 79154554) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
PubChem CID79154554
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
SMILESCCN(CC)C(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-17(4-2)15(19)18(14-8-9-14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyGIUJDRYASGNOIV-UHFFFAOYSA-N
XLogP2.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
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-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
CID 65205920
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea?
The IUPAC name of 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea (CID 79154554) is 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea is CCN(CC)C(=O)N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea?
The InChIKey is GIUJDRYASGNOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-17(4-2)15(19)18(14-8-9-14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea?
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea has a molecular weight of 261.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea is sourced from PubChem (CID 79154554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).