(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine

C13H15NO — CID 114735264

IUPAC(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-14-9-5-4-7-12-10-11-6-2-3-8-13(11)15-12/h2-4,6-8,10,14H,5,9H2,1H3/b7-4+
InChIKeyNRLNOKZLIKWCTD-QPJJXVBHSA-N
MW201.27 g/mol
LogP3.06
Rot. Bonds4

About (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine

(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine (PubChem CID 114735264) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
PubChem CID114735264
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-14-9-5-4-7-12-10-11-6-2-3-8-13(11)15-12/h2-4,6-8,10,14H,5,9H2,1H3/b7-4+
InChIKeyNRLNOKZLIKWCTD-QPJJXVBHSA-N
XLogP3.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-benzofuran-2-yl)prop-2-enyl]cyclopropanamine
CID 79347289
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran
CID 122221854
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
2-ethenyl-1-benzofuran
CID 588974
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
4-(1-benzofuran-2-yl)-2-[4-(1-benzofuran-2-yl)but-3-enylperoxy]buta-2,3-dienenitrile
CID 58761300
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
CID 79322987
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
N-methyl-4-(3-trimethylsilylphenyl)but-3-en-1-amine
CID 170495970
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
CID 110667582

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine (CID 114735264) is (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine is CNCC/C=C/c1cc2ccccc2o1.
What is the InChIKey of (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine?
The InChIKey is NRLNOKZLIKWCTD-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-9-5-4-7-12-10-11-6-2-3-8-13(11)15-12/h2-4,6-8,10,14H,5,9H2,1H3/b7-4+.
What are the key properties of (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine?
(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine has a molecular weight of 201.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 114735264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).