2-ethoxy-5-(furan-3-yl)aniline

C12H13NO2 — CID 165490107

IUPAC2-ethoxy-5-(furan-3-yl)aniline
SMILESCCOc1ccc(-c2ccoc2)cc1N
InChIInChI=1S/C12H13NO2/c1-2-15-12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-8H,2,13H2,1H3
InChIKeyTTZYIALGOSGEPD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.93
Rot. Bonds3

About 2-ethoxy-5-(furan-3-yl)aniline

2-ethoxy-5-(furan-3-yl)aniline (PubChem CID 165490107) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-ethoxy-5-(furan-3-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(furan-3-yl)aniline
PubChem CID165490107
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-ethoxy-5-(furan-3-yl)aniline
SMILESCCOc1ccc(-c2ccoc2)cc1N
InChIInChI=1S/C12H13NO2/c1-2-15-12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-8H,2,13H2,1H3
InChIKeyTTZYIALGOSGEPD-UHFFFAOYSA-N
XLogP2.93
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.93
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 2-ethoxy-5-(furan-3-yl)aniline?
The IUPAC name of 2-ethoxy-5-(furan-3-yl)aniline (CID 165490107) is 2-ethoxy-5-(furan-3-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(furan-3-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(furan-3-yl)aniline is CCOc1ccc(-c2ccoc2)cc1N.
What is the InChIKey of 2-ethoxy-5-(furan-3-yl)aniline?
The InChIKey is TTZYIALGOSGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-8H,2,13H2,1H3.
What are the key properties of 2-ethoxy-5-(furan-3-yl)aniline?
2-ethoxy-5-(furan-3-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(furan-3-yl)aniline is sourced from PubChem (CID 165490107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).