N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine

C11H15FN2O — CID 164878073

IUPACN-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine
SMILESCC(N)c1ccc(F)c(NC2COC2)c1
InChIInChI=1S/C11H15FN2O/c1-7(13)8-2-3-10(12)11(4-8)14-9-5-15-6-9/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeySDTIVAZNEHDJCP-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.66
Rot. Bonds3

About N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine

N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine (PubChem CID 164878073) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine
PubChem CID164878073
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine
SMILESCC(N)c1ccc(F)c(NC2COC2)c1
InChIInChI=1S/C11H15FN2O/c1-7(13)8-2-3-10(12)11(4-8)14-9-5-15-6-9/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeySDTIVAZNEHDJCP-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine?
The IUPAC name of N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine (CID 164878073) is N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine.
What is the SMILES notation for N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine?
The canonical SMILES for N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine is CC(N)c1ccc(F)c(NC2COC2)c1.
What is the InChIKey of N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine?
The InChIKey is SDTIVAZNEHDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7(13)8-2-3-10(12)11(4-8)14-9-5-15-6-9/h2-4,7,9,14H,5-6,13H2,1H3.
What are the key properties of N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine?
N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine has a molecular weight of 210.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-2-fluorophenyl]oxetan-3-amine is sourced from PubChem (CID 164878073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).