2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine

C11H11Cl2NO — CID 135379802

IUPAC2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCc1oc2c(Cl)cc(Cl)cc2c1CCN
InChIInChI=1S/C11H11Cl2NO/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5H,2-3,14H2,1H3
InChIKeyUUYRFEQRXSHZNG-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.55
Rot. Bonds2

About 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine

2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine (PubChem CID 135379802) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine
PubChem CID135379802
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCc1oc2c(Cl)cc(Cl)cc2c1CCN
InChIInChI=1S/C11H11Cl2NO/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5H,2-3,14H2,1H3
InChIKeyUUYRFEQRXSHZNG-UHFFFAOYSA-N
XLogP3.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,8-Tetrachlorodibenzofuran
CID 42843
2,4,6-Trichlorodibenzofuran
CID 42838
Benzofuran, 5,7-dichloro-2-methyl-
CID 608298
(5-Chloro-3-phenyl-1-benzofuran-2-yl)methanamine hydrochloride
CID 22763506
1-(5-Chloro-1-benzofuran-2-yl)ethan-1-amine hydrochloride
CID 54594449
Benzofuran, 7-chloro-2,3-dimethyl-
CID 3014241
(7-Chlorobenzofuran-3-yl)methanamine
CID 65667955
2-[5,7-Dichloro-3-(2-fluorophenyl)-1-benzofuran-2-yl]ethanamine
CID 20361846
3-[5,7-Dichloro-3-(2-fluorophenyl)-1-benzofuran-2-yl]propan-1-amine
CID 20361858
(5-Chloro-3-phenyl-1-benzofuran-2-yl)methanamine
CID 20361859
1-(7-Chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine
CID 166532041
5-(7-Chloro-4-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176196934

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine (CID 135379802) is 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine is Cc1oc2c(Cl)cc(Cl)cc2c1CCN.
What is the InChIKey of 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is UUYRFEQRXSHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5H,2-3,14H2,1H3.
What are the key properties of 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine?
2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 244.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-2-methyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 135379802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).