1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine

C15H18BrNO — CID 105151800

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H18BrNO/c1-17-13(8-10-4-2-5-10)14-9-11-6-3-7-12(16)15(11)18-14/h3,6-7,9-10,13,17H,2,4-5,8H2,1H3
InChIKeyVMFWVAMFICMYEX-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.65
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine

1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine (PubChem CID 105151800) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
PubChem CID105151800
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H18BrNO/c1-17-13(8-10-4-2-5-10)14-9-11-6-3-7-12(16)15(11)18-14/h3,6-7,9-10,13,17H,2,4-5,8H2,1H3
InChIKeyVMFWVAMFICMYEX-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine (CID 105151800) is 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine is CNC(CC1CCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine?
The InChIKey is VMFWVAMFICMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-17-13(8-10-4-2-5-10)14-9-11-6-3-7-12(16)15(11)18-14/h3,6-7,9-10,13,17H,2,4-5,8H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine?
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 105151800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).