1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine

C11H11Cl2NO — CID 65440531

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C11H11Cl2NO/c1-6(14-2)9-5-7-3-4-8(12)10(13)11(7)15-9/h3-6,14H,1-2H3
InChIKeyRLITZSHYVVAGKJ-UHFFFAOYSA-N
MW244.12 g/mol
LogP4.02
Rot. Bonds2

About 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine

1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 65440531) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID65440531
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C11H11Cl2NO/c1-6(14-2)9-5-7-3-4-8(12)10(13)11(7)15-9/h3-6,14H,1-2H3
InChIKeyRLITZSHYVVAGKJ-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 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 ≤ 54.02
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-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440366
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 107662182
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
6,7-dichloro-2-methyl-1-benzofuran
CID 102472280
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
6,7-dichloro-1-benzofuran-2-carbaldehyde
CID 65426681
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine (CID 65440531) is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is RLITZSHYVVAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-6(14-2)9-5-7-3-4-8(12)10(13)11(7)15-9/h3-6,14H,1-2H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine?
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 244.12 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 65440531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).