1-(1-benzofuran-2-yl)hex-4-yn-1-amine

C14H15NO — CID 104805595

IUPAC1-(1-benzofuran-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h5-7,9-10,12H,4,8,15H2,1H3
InChIKeyKQFCDUJITSCKJS-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.24
Rot. Bonds3

About 1-(1-benzofuran-2-yl)hex-4-yn-1-amine

1-(1-benzofuran-2-yl)hex-4-yn-1-amine (PubChem CID 104805595) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)hex-4-yn-1-amine
PubChem CID104805595
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(1-benzofuran-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h5-7,9-10,12H,4,8,15H2,1H3
InChIKeyKQFCDUJITSCKJS-UHFFFAOYSA-N
XLogP3.24
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62352150
2-butan-2-yl-1-benzofuran
CID 12065919
4-amino-3-(1-benzofuran-2-yl)hexan-1-ol
CID 66090326

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)hex-4-yn-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)hex-4-yn-1-amine (CID 104805595) is 1-(1-benzofuran-2-yl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)hex-4-yn-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)hex-4-yn-1-amine is CC#CCCC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)hex-4-yn-1-amine?
The InChIKey is KQFCDUJITSCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h5-7,9-10,12H,4,8,15H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)hex-4-yn-1-amine?
1-(1-benzofuran-2-yl)hex-4-yn-1-amine has a molecular weight of 213.28 g/mol, XLogP of 3.24, 3 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)hex-4-yn-1-amine is sourced from PubChem (CID 104805595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).