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

C17H21NO — CID 2942980

IUPAC1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine
SMILESC=C(C)CC(NCCc1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO/c1-14(2)13-16(17-9-6-12-19-17)18-11-10-15-7-4-3-5-8-15/h3-9,12,16,18H,1,10-11,13H2,2H3
InChIKeyFJHYVBYMGHMBRJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.12
Rot. Bonds7

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

1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine (PubChem CID 2942980) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine
PubChem CID2942980
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine
SMILESC=C(C)CC(NCCc1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO/c1-14(2)13-16(17-9-6-12-19-17)18-11-10-15-7-4-3-5-8-15/h3-9,12,16,18H,1,10-11,13H2,2H3
InChIKeyFJHYVBYMGHMBRJ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine?
The IUPAC name of 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine (CID 2942980) is 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine?
The canonical SMILES for 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine is C=C(C)CC(NCCc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine?
The InChIKey is FJHYVBYMGHMBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(2)13-16(17-9-6-12-19-17)18-11-10-15-7-4-3-5-8-15/h3-9,12,16,18H,1,10-11,13H2,2H3.
What are the key properties of 1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine?
1-(furan-2-yl)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.12, 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)-3-methyl-N-(2-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 2942980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).