5-(furan-2-yl)-2-methoxyaniline

C11H11NO2 — CID 63947705

IUPAC5-(furan-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccco2)cc1N
InChIInChI=1S/C11H11NO2/c1-13-11-5-4-8(7-9(11)12)10-3-2-6-14-10/h2-7H,12H2,1H3
InChIKeyKAVPTJRLVCPPHN-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.54
Rot. Bonds2

About 5-(furan-2-yl)-2-methoxyaniline

5-(furan-2-yl)-2-methoxyaniline (PubChem CID 63947705) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methoxyaniline
PubChem CID63947705
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-(furan-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccco2)cc1N
InChIInChI=1S/C11H11NO2/c1-13-11-5-4-8(7-9(11)12)10-3-2-6-14-10/h2-7H,12H2,1H3
InChIKeyKAVPTJRLVCPPHN-UHFFFAOYSA-N
XLogP2.54
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.54
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 5-(furan-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(furan-2-yl)-2-methoxyaniline (CID 63947705) is 5-(furan-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(furan-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(furan-2-yl)-2-methoxyaniline is COc1ccc(-c2ccco2)cc1N.
What is the InChIKey of 5-(furan-2-yl)-2-methoxyaniline?
The InChIKey is KAVPTJRLVCPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-13-11-5-4-8(7-9(11)12)10-3-2-6-14-10/h2-7H,12H2,1H3.
What are the key properties of 5-(furan-2-yl)-2-methoxyaniline?
5-(furan-2-yl)-2-methoxyaniline has a molecular weight of 189.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methoxyaniline is sourced from PubChem (CID 63947705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).