4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine

C15H20ClNO — CID 114733353

IUPAC4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO/c1-3-8-17-11(2)4-6-14-10-12-9-13(16)5-7-15(12)18-14/h5,7,9-11,17H,3-4,6,8H2,1-2H3
InChIKeyJSAQWHQKBAGJEA-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.41
Rot. Bonds6

About 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine

4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine (PubChem CID 114733353) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
PubChem CID114733353
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO/c1-3-8-17-11(2)4-6-14-10-12-9-13(16)5-7-15(12)18-14/h5,7,9-11,17H,3-4,6,8H2,1-2H3
InChIKeyJSAQWHQKBAGJEA-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936
N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105185696
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine (CID 114733353) is 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1cc2cc(Cl)ccc2o1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine?
The InChIKey is JSAQWHQKBAGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-8-17-11(2)4-6-14-10-12-9-13(16)5-7-15(12)18-14/h5,7,9-11,17H,3-4,6,8H2,1-2H3.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine?
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine has a molecular weight of 265.78 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 114733353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).