1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine

C15H20BrNO — CID 65438665

IUPAC1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc2cc(C)cc(Br)c2o1
InChIInChI=1S/C15H20BrNO/c1-4-6-13(17-5-2)14-9-11-7-10(3)8-12(16)15(11)18-14/h7-9,13,17H,4-6H2,1-3H3
InChIKeyGGKUAMFBCWZDPT-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.95
Rot. Bonds5

About 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine

1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine (PubChem CID 65438665) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
PubChem CID65438665
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc2cc(C)cc(Br)c2o1
InChIInChI=1S/C15H20BrNO/c1-4-6-13(17-5-2)14-9-11-7-10(3)8-12(16)15(11)18-14/h7-9,13,17H,4-6H2,1-3H3
InChIKeyGGKUAMFBCWZDPT-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 65438613
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
N-[(7-bromo-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438810

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine (CID 65438665) is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1cc2cc(C)cc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The InChIKey is GGKUAMFBCWZDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-4-6-13(17-5-2)14-9-11-7-10(3)8-12(16)15(11)18-14/h7-9,13,17H,4-6H2,1-3H3.
What are the key properties of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 65438665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).