1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine

C12H13Cl2NO — CID 65439591

IUPAC1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2c(Cl)ccc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3
InChIKeyHKSWFQJOJHOSSR-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.41
Rot. Bonds3

About 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine

1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 65439591) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID65439591
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2c(Cl)ccc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3
InChIKeyHKSWFQJOJHOSSR-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439618
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
CID 65440506
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
CID 62498910
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine (CID 65439591) is 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1cc2c(Cl)ccc(Cl)c2o1.
What is the InChIKey of 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is HKSWFQJOJHOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3.
What are the key properties of 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine?
1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 258.15 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65439591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).