1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine

C14H17NO — CID 79185588

IUPAC1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO/c1-10(2)8-12(15-3)14-9-11-6-4-5-7-13(11)16-14/h4-7,9,12,15H,1,8H2,2-3H3
InChIKeyOKKQRZDUYQIWAO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.66
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine

1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine (PubChem CID 79185588) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
PubChem CID79185588
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO/c1-10(2)8-12(15-3)14-9-11-6-4-5-7-13(11)16-14/h4-7,9,12,15H,1,8H2,2-3H3
InChIKeyOKKQRZDUYQIWAO-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
(3R)-3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 78953838
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 63897695
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine (CID 79185588) is 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine is C=C(C)CC(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine?
The InChIKey is OKKQRZDUYQIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)8-12(15-3)14-9-11-6-4-5-7-13(11)16-14/h4-7,9,12,15H,1,8H2,2-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine?
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 79185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).