1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine

C13H10ClNO2 — CID 106693169

IUPAC1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)o1)c1cc2ccccc2o1
InChIInChI=1S/C13H10ClNO2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h1-7,13H,15H2
InChIKeyHCUSBSXSSBPTOB-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.73
Rot. Bonds2

About 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine

1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine (PubChem CID 106693169) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
PubChem CID106693169
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)o1)c1cc2ccccc2o1
InChIInChI=1S/C13H10ClNO2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h1-7,13H,15H2
InChIKeyHCUSBSXSSBPTOB-UHFFFAOYSA-N
XLogP3.73
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine (CID 106693169) is 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine is NC(c1ccc(Cl)o1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine?
The InChIKey is HCUSBSXSSBPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h1-7,13H,15H2.
What are the key properties of 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine?
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine has a molecular weight of 247.68 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine is sourced from PubChem (CID 106693169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).