1-(furan-2-yl)-2-phenoxyethanamine

C12H13NO2 — CID 16790358

IUPAC1-(furan-2-yl)-2-phenoxyethanamine
SMILESNC(COc1ccccc1)c1ccco1
InChIInChI=1S/C12H13NO2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11H,9,13H2
InChIKeyBGOTXSZOSBSUJW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.36
Rot. Bonds4

About 1-(furan-2-yl)-2-phenoxyethanamine

1-(furan-2-yl)-2-phenoxyethanamine (PubChem CID 16790358) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-phenoxyethanamine
PubChem CID16790358
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(furan-2-yl)-2-phenoxyethanamine
SMILESNC(COc1ccccc1)c1ccco1
InChIInChI=1S/C12H13NO2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11H,9,13H2
InChIKeyBGOTXSZOSBSUJW-UHFFFAOYSA-N
XLogP2.36
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-phenoxyethanamine?
The IUPAC name of 1-(furan-2-yl)-2-phenoxyethanamine (CID 16790358) is 1-(furan-2-yl)-2-phenoxyethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-phenoxyethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-phenoxyethanamine is NC(COc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-phenoxyethanamine?
The InChIKey is BGOTXSZOSBSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11H,9,13H2.
What are the key properties of 1-(furan-2-yl)-2-phenoxyethanamine?
1-(furan-2-yl)-2-phenoxyethanamine has a molecular weight of 203.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-phenoxyethanamine is sourced from PubChem (CID 16790358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).