1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea

C13H18FN3O — CID 102874295

IUPAC1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
SMILESNCCN(C(=O)Nc1ccccc1F)C1CCC1
InChIInChI=1S/C13H18FN3O/c14-11-6-1-2-7-12(11)16-13(18)17(9-8-15)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18)
InChIKeyOUKQXEMAIUJJEU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea

1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea (PubChem CID 102874295) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
PubChem CID102874295
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
SMILESNCCN(C(=O)Nc1ccccc1F)C1CCC1
InChIInChI=1S/C13H18FN3O/c14-11-6-1-2-7-12(11)16-13(18)17(9-8-15)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18)
InChIKeyOUKQXEMAIUJJEU-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea (CID 102874295) is 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea is NCCN(C(=O)Nc1ccccc1F)C1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea?
The InChIKey is OUKQXEMAIUJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-6-1-2-7-12(11)16-13(18)17(9-8-15)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18).
What are the key properties of 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea?
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea has a molecular weight of 251.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea is sourced from PubChem (CID 102874295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).