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

C15H17NO — CID 2920574

IUPACN-[1-(furan-2-yl)but-3-enyl]-3-methylaniline
SMILESC=CCC(Nc1cccc(C)c1)c1ccco1
InChIInChI=1S/C15H17NO/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h3-5,7-11,14,16H,1,6H2,2H3
InChIKeyXAGDBIASFUVFIX-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.32
Rot. Bonds5

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

N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline (PubChem CID 2920574) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)but-3-enyl]-3-methylaniline
PubChem CID2920574
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[1-(furan-2-yl)but-3-enyl]-3-methylaniline
SMILESC=CCC(Nc1cccc(C)c1)c1ccco1
InChIInChI=1S/C15H17NO/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h3-5,7-11,14,16H,1,6H2,2H3
InChIKeyXAGDBIASFUVFIX-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]-3-methylaniline?
The IUPAC name of N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline (CID 2920574) is N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline?
The canonical SMILES for N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline is C=CCC(Nc1cccc(C)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline?
The InChIKey is XAGDBIASFUVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h3-5,7-11,14,16H,1,6H2,2H3.
What are the key properties of N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline?
N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)but-3-enyl]-3-methylaniline is sourced from PubChem (CID 2920574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).