1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine

C12H13Cl2NO — CID 65439823

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-2-3-9(15)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9H,2-3,15H2,1H3
InChIKeyABLXXTVJRFDPGZ-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.54
Rot. Bonds3

About 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine

1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65439823) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
PubChem CID65439823
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-2-3-9(15)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9H,2-3,15H2,1H3
InChIKeyABLXXTVJRFDPGZ-UHFFFAOYSA-N
XLogP4.54
TPSA39.16 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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
1-(2,3,4-trichlorophenyl)butan-1-amine
CID 82550973
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
6,7-dichloro-2-methyl-1-benzofuran
CID 102472280

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine (CID 65439823) is 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is ABLXXTVJRFDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-3-9(15)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9H,2-3,15H2,1H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine?
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 258.15 g/mol, XLogP of 4.54, 3 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)butan-1-amine is sourced from PubChem (CID 65439823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).