6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine

C14H15NO — CID 79331489

IUPAC6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESNC1(c2cc3ccccc3o2)C2CCCC21
InChIInChI=1S/C14H15NO/c15-14(10-5-3-6-11(10)14)13-8-9-4-1-2-7-12(9)16-13/h1-2,4,7-8,10-11H,3,5-6,15H2
InChIKeyWNEXJGORBQDJJF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.02
Rot. Bonds1

About 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine

6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine (PubChem CID 79331489) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
PubChem CID79331489
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESNC1(c2cc3ccccc3o2)C2CCCC21
InChIInChI=1S/C14H15NO/c15-14(10-5-3-6-11(10)14)13-8-9-4-1-2-7-12(9)16-13/h1-2,4,7-8,10-11H,3,5-6,15H2
InChIKeyWNEXJGORBQDJJF-UHFFFAOYSA-N
XLogP3.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
2-(3-bromo-1-methylcyclopentyl)-1-benzofuran
CID 114734030
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
CID 114722905
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
2-cyclopropyl-1-benzofuran
CID 12528043
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine (CID 79331489) is 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine is NC1(c2cc3ccccc3o2)C2CCCC21.
What is the InChIKey of 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine?
The InChIKey is WNEXJGORBQDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-14(10-5-3-6-11(10)14)13-8-9-4-1-2-7-12(9)16-13/h1-2,4,7-8,10-11H,3,5-6,15H2.
What are the key properties of 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine?
6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine has a molecular weight of 213.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 79331489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).