1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine

C16H19NO — CID 3150624

IUPAC1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine
SMILESC=CCC(NCCc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-2-7-15(16-10-6-13-18-16)17-12-11-14-8-4-3-5-9-14/h2-6,8-10,13,15,17H,1,7,11-12H2
InChIKeyDENSQFIUVKVMOD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.73
Rot. Bonds7

About 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine

1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine (PubChem CID 3150624) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine
PubChem CID3150624
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine
SMILESC=CCC(NCCc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-2-7-15(16-10-6-13-18-16)17-12-11-14-8-4-3-5-9-14/h2-6,8-10,13,15,17H,1,7,11-12H2
InChIKeyDENSQFIUVKVMOD-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine (CID 3150624) is 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine is C=CCC(NCCc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine?
The InChIKey is DENSQFIUVKVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-7-15(16-10-6-13-18-16)17-12-11-14-8-4-3-5-9-14/h2-6,8-10,13,15,17H,1,7,11-12H2.
What are the key properties of 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine?
1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(2-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 3150624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).