N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine

C14H17NO — CID 176732018

IUPACN-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
SMILESCC=CCN(C)Cc1coc2ccccc12
InChIInChI=1S/C14H17NO/c1-3-4-9-15(2)10-12-11-16-14-8-6-5-7-13(12)14/h3-8,11H,9-10H2,1-2H3
InChIKeyOBLQWYNGZCACJZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.44
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine

N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine (PubChem CID 176732018) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
PubChem CID176732018
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
SMILESCC=CCN(C)Cc1coc2ccccc12
InChIInChI=1S/C14H17NO/c1-3-4-9-15(2)10-12-11-16-14-8-6-5-7-13(12)14/h3-8,11H,9-10H2,1-2H3
InChIKeyOBLQWYNGZCACJZ-UHFFFAOYSA-N
XLogP3.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
CID 142355183
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 134559949
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine (CID 176732018) is N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine is CC=CCN(C)Cc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine?
The InChIKey is OBLQWYNGZCACJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-9-15(2)10-12-11-16-14-8-6-5-7-13(12)14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine?
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 176732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).