7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine

C17H14ClNO — CID 114728843

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cc(Cl)ccc2o1)C1Cc2ccccc21
InChIInChI=1S/C17H14ClNO/c18-12-5-6-15-11(7-12)9-16(20-15)17(19)14-8-10-3-1-2-4-13(10)14/h1-7,9,14,17H,8,19H2
InChIKeyOVDSHLMJRHCMOH-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.43
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 114728843) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine
PubChem CID114728843
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cc(Cl)ccc2o1)C1Cc2ccccc21
InChIInChI=1S/C17H14ClNO/c18-12-5-6-15-11(7-12)9-16(20-15)17(19)14-8-10-3-1-2-4-13(10)14/h1-7,9,14,17H,8,19H2
InChIKeyOVDSHLMJRHCMOH-UHFFFAOYSA-N
XLogP4.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine with MolForge

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Related Compounds

1-benzofuran-2-yl(2,3-dihydro-1H-inden-1-yl)methanamine
CID 114729328
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
CID 64984280
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105224798
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-chlorophenyl)ethanamine
CID 64983999
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
CID 64986314
(5-chloro-1-benzofuran-2-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114729898
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine (CID 114728843) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine is NC(c1cc2cc(Cl)ccc2o1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is OVDSHLMJRHCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-12-5-6-15-11(7-12)9-16(20-15)17(19)14-8-10-3-1-2-4-13(10)14/h1-7,9,14,17H,8,19H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 283.76 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114728843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).