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

C16H19NO — CID 2922109

IUPACN-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline
SMILESC=C(C)CC(Nc1ccccc1C)c1ccco1
InChIInChI=1S/C16H19NO/c1-12(2)11-15(16-9-6-10-18-16)17-14-8-5-4-7-13(14)3/h4-10,15,17H,1,11H2,2-3H3
InChIKeyOEFNXAFINHBFJM-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.71
Rot. Bonds5

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

N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline (PubChem CID 2922109) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline
PubChem CID2922109
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline
SMILESC=C(C)CC(Nc1ccccc1C)c1ccco1
InChIInChI=1S/C16H19NO/c1-12(2)11-15(16-9-6-10-18-16)17-14-8-5-4-7-13(14)3/h4-10,15,17H,1,11H2,2-3H3
InChIKeyOEFNXAFINHBFJM-UHFFFAOYSA-N
XLogP4.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline?
The IUPAC name of N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline (CID 2922109) is N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline?
The canonical SMILES for N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline is C=C(C)CC(Nc1ccccc1C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline?
The InChIKey is OEFNXAFINHBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)11-15(16-9-6-10-18-16)17-14-8-5-4-7-13(14)3/h4-10,15,17H,1,11H2,2-3H3.
What are the key properties of N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline?
N-[1-(furan-2-yl)-3-methylbut-3-enyl]-2-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.71, 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)-3-methylbut-3-enyl]-2-methylaniline is sourced from PubChem (CID 2922109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).