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

C17H21NO — CID 2920825

IUPAC1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine
SMILESC=C(C)CC(NC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO/c1-13(2)12-16(17-10-7-11-19-17)18-14(3)15-8-5-4-6-9-15/h4-11,14,16,18H,1,12H2,2-3H3
InChIKeyCLZVZSIVKCIDEL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.64
Rot. Bonds6

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

1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine (PubChem CID 2920825) 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-(1-phenylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine
PubChem CID2920825
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine
SMILESC=C(C)CC(NC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO/c1-13(2)12-16(17-10-7-11-19-17)18-14(3)15-8-5-4-6-9-15/h4-11,14,16,18H,1,12H2,2-3H3
InChIKeyCLZVZSIVKCIDEL-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine?
The IUPAC name of 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine (CID 2920825) is 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine?
The canonical SMILES for 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine is C=C(C)CC(NC(C)c1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine?
The InChIKey is CLZVZSIVKCIDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)12-16(17-10-7-11-19-17)18-14(3)15-8-5-4-6-9-15/h4-11,14,16,18H,1,12H2,2-3H3.
What are the key properties of 1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine?
1-(furan-2-yl)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.64, 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)-3-methyl-N-(1-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 2920825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).