(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine

C15H16ClNO — CID 103092184

IUPAC(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClNO/c1-11(17-2)3-8-14-9-10-15(18-14)12-4-6-13(16)7-5-12/h3-11,17H,1-2H3/b8-3+
InChIKeyAIGYWXXXQDMEOA-FPYGCLRLSA-N
MW261.75 g/mol
LogP4.22
Rot. Bonds4

About (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine

(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine (PubChem CID 103092184) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine
PubChem CID103092184
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClNO/c1-11(17-2)3-8-14-9-10-15(18-14)12-4-6-13(16)7-5-12/h3-11,17H,1-2H3/b8-3+
InChIKeyAIGYWXXXQDMEOA-FPYGCLRLSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine 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 (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine (CID 103092184) is (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine is CNC(C)/C=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine?
The InChIKey is AIGYWXXXQDMEOA-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(17-2)3-8-14-9-10-15(18-14)12-4-6-13(16)7-5-12/h3-11,17H,1-2H3/b8-3+.
What are the key properties of (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine?
(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine has a molecular weight of 261.75 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine is sourced from PubChem (CID 103092184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).