4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline

C14H14ClNO — CID 24878769

IUPAC4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1ccoc1
InChIInChI=1S/C14H14ClNO/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2
InChIKeyYEGMMDVNUBJKDD-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.66
Rot. Bonds5

About 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline

4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline (PubChem CID 24878769) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline
PubChem CID24878769
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1ccoc1
InChIInChI=1S/C14H14ClNO/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2
InChIKeyYEGMMDVNUBJKDD-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.66
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 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline?
The IUPAC name of 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline (CID 24878769) is 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline is C=CCC(Nc1ccc(Cl)cc1)c1ccoc1.
What is the InChIKey of 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline?
The InChIKey is YEGMMDVNUBJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2.
What are the key properties of 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline?
4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline is sourced from PubChem (CID 24878769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).