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

C15H17NO — CID 3147174

IUPACN-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
SMILESC=C(C)CC(Nc1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO/c1-12(2)11-14(15-9-6-10-17-15)16-13-7-4-3-5-8-13/h3-10,14,16H,1,11H2,2H3
InChIKeyMFBSQOXSUKTXAF-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.40
Rot. Bonds5

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

N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline (PubChem CID 3147174) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
PubChem CID3147174
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
SMILESC=C(C)CC(Nc1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO/c1-12(2)11-14(15-9-6-10-17-15)16-13-7-4-3-5-8-13/h3-10,14,16H,1,11H2,2H3
InChIKeyMFBSQOXSUKTXAF-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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]aniline with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 2941224
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
anilino(furan-2-yl)methanol
CID 143292657
N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
CID 102087779
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466709
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
CID 62632335
N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
CID 118989015
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The IUPAC name of N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline (CID 3147174) is N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline.
What is the SMILES notation for N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The canonical SMILES for N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline is C=C(C)CC(Nc1ccccc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The InChIKey is MFBSQOXSUKTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(2)11-14(15-9-6-10-17-15)16-13-7-4-3-5-8-13/h3-10,14,16H,1,11H2,2H3.
What are the key properties of N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 4.40, 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]aniline is sourced from PubChem (CID 3147174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).