4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine

C17H21NO — CID 62339939

IUPAC4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
SMILESCC(CCc1ccco1)NC/C=C/c1ccccc1
InChIInChI=1S/C17H21NO/c1-15(11-12-17-10-6-14-19-17)18-13-5-9-16-7-3-2-4-8-16/h2-10,14-15,18H,11-13H2,1H3/b9-5+
InChIKeyMVRZWLYQWATAGX-WEVVVXLNSA-N
MW255.36 g/mol
LogP3.90
Rot. Bonds7

About 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine

4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine (PubChem CID 62339939) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
PubChem CID62339939
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
SMILESCC(CCc1ccco1)NC/C=C/c1ccccc1
InChIInChI=1S/C17H21NO/c1-15(11-12-17-10-6-14-19-17)18-13-5-9-16-7-3-2-4-8-16/h2-10,14-15,18H,11-13H2,1H3/b9-5+
InChIKeyMVRZWLYQWATAGX-WEVVVXLNSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine (CID 62339939) is 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine is CC(CCc1ccco1)NC/C=C/c1ccccc1.
What is the InChIKey of 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine?
The InChIKey is MVRZWLYQWATAGX-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(11-12-17-10-6-14-19-17)18-13-5-9-16-7-3-2-4-8-16/h2-10,14-15,18H,11-13H2,1H3/b9-5+.
What are the key properties of 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine?
4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine is sourced from PubChem (CID 62339939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).