(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine

C17H20FNO — CID 103092831

IUPAC(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)4-9-16-10-11-17(20-16)14-5-7-15(18)8-6-14/h4-11,13,19H,3,12H2,1-2H3/b9-4+
InChIKeyGFZDKBNNESFCKG-RUDMXATFSA-N
MW273.35 g/mol
LogP4.49
Rot. Bonds6

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

(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine (PubChem CID 103092831) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine
PubChem CID103092831
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)4-9-16-10-11-17(20-16)14-5-7-15(18)8-6-14/h4-11,13,19H,3,12H2,1-2H3/b9-4+
InChIKeyGFZDKBNNESFCKG-RUDMXATFSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine (CID 103092831) is (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine?
The InChIKey is GFZDKBNNESFCKG-RUDMXATFSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-12-19-13(2)4-9-16-10-11-17(20-16)14-5-7-15(18)8-6-14/h4-11,13,19H,3,12H2,1-2H3/b9-4+.
What are the key properties of (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine?
(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine has a molecular weight of 273.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).