N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline

C15H17NO2 — CID 3147164

IUPACN-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline
SMILESC=CCC(Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C15H17NO2/c1-3-5-14(15-6-4-11-18-15)16-12-7-9-13(17-2)10-8-12/h3-4,6-11,14,16H,1,5H2,2H3
InChIKeyOYJDMLZKWITUOG-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline

N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline (PubChem CID 3147164) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline
PubChem CID3147164
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline
SMILESC=CCC(Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C15H17NO2/c1-3-5-14(15-6-4-11-18-15)16-12-7-9-13(17-2)10-8-12/h3-4,6-11,14,16H,1,5H2,2H3
InChIKeyOYJDMLZKWITUOG-UHFFFAOYSA-N
XLogP4.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline?
The IUPAC name of N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline (CID 3147164) is N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline is C=CCC(Nc1ccc(OC)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline?
The InChIKey is OYJDMLZKWITUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-5-14(15-6-4-11-18-15)16-12-7-9-13(17-2)10-8-12/h3-4,6-11,14,16H,1,5H2,2H3.
What are the key properties of N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline?
N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline has a molecular weight of 243.31 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline is sourced from PubChem (CID 3147164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).