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

C16H19NO — CID 3541691

IUPAC1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine
SMILESC=CCC(NC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3
InChIKeyNLXVBBUYEXXZMJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.25
Rot. Bonds6

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

1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine (PubChem CID 3541691) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine
PubChem CID3541691
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine
SMILESC=CCC(NC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3
InChIKeyNLXVBBUYEXXZMJ-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.25
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-(1-phenylethyl)but-3-en-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine (CID 3541691) is 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine is C=CCC(NC(C)c1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine?
The InChIKey is NLXVBBUYEXXZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3.
What are the key properties of 1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine?
1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 4.25, 6 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-(1-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 3541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).