1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea

C12H18FN3O — CID 43164865

IUPAC1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
SMILESCCNC(=O)N(CCCN)c1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-2-15-12(17)16(9-5-8-14)11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,14H2,1H3,(H,15,17)
InChIKeyZUFBILJVDPHEKW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.71
Rot. Bonds5

About 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea

1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea (PubChem CID 43164865) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
PubChem CID43164865
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
SMILESCCNC(=O)N(CCCN)c1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-2-15-12(17)16(9-5-8-14)11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,14H2,1H3,(H,15,17)
InChIKeyZUFBILJVDPHEKW-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea (CID 43164865) is 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea is CCNC(=O)N(CCCN)c1ccccc1F.
What is the InChIKey of 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea?
The InChIKey is ZUFBILJVDPHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-15-12(17)16(9-5-8-14)11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,14H2,1H3,(H,15,17).
What are the key properties of 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea?
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea has a molecular weight of 239.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea is sourced from PubChem (CID 43164865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).