1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine

C13H15Cl2NO — CID 65439053

IUPAC1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H15Cl2NO/c1-3-11(16-4-2)12-6-8-5-9(14)7-10(15)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3
InChIKeyMJLJDYREWDOMFC-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.80
Rot. Bonds4

About 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine

1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine (PubChem CID 65439053) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
PubChem CID65439053
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H15Cl2NO/c1-3-11(16-4-2)12-6-8-5-9(14)7-10(15)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3
InChIKeyMJLJDYREWDOMFC-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438619
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 43149764
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine (CID 65439053) is 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine is CCNC(CC)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The InChIKey is MJLJDYREWDOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-3-11(16-4-2)12-6-8-5-9(14)7-10(15)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3.
What are the key properties of 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine has a molecular weight of 272.17 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 65439053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).