4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline

C14H15NO2 — CID 116871216

IUPAC4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline
SMILESCc1ccc(C2(c3ccc(N)cc3)COC2)o1
InChIInChI=1S/C14H15NO2/c1-10-2-7-13(17-10)14(8-16-9-14)11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3
InChIKeyPXGQKJMPOLNTHO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds2

About 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline

4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline (PubChem CID 116871216) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline.

Molecular Properties

Compound Name4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline
PubChem CID116871216
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline
SMILESCc1ccc(C2(c3ccc(N)cc3)COC2)o1
InChIInChI=1S/C14H15NO2/c1-10-2-7-13(17-10)14(8-16-9-14)11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3
InChIKeyPXGQKJMPOLNTHO-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline?
The IUPAC name of 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline (CID 116871216) is 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline.
What is the SMILES notation for 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline?
The canonical SMILES for 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline is Cc1ccc(C2(c3ccc(N)cc3)COC2)o1.
What is the InChIKey of 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline?
The InChIKey is PXGQKJMPOLNTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-2-7-13(17-10)14(8-16-9-14)11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3.
What are the key properties of 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline?
4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline has a molecular weight of 229.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline is sourced from PubChem (CID 116871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).