2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine

C12H14BrNO — CID 107727451

IUPAC2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine
SMILESCc1cc2occ(CCN)c2c(C)c1Br
InChIInChI=1S/C12H14BrNO/c1-7-5-10-11(8(2)12(7)13)9(3-4-14)6-15-10/h5-6H,3-4,14H2,1-2H3
InChIKeyCPACDJOXWZTEDP-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.31
Rot. Bonds2

About 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine

2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine (PubChem CID 107727451) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine
PubChem CID107727451
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine
SMILESCc1cc2occ(CCN)c2c(C)c1Br
InChIInChI=1S/C12H14BrNO/c1-7-5-10-11(8(2)12(7)13)9(3-4-14)6-15-10/h5-6H,3-4,14H2,1-2H3
InChIKeyCPACDJOXWZTEDP-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
CID 107725443
N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048081
3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82233718
2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine
CID 82374483
2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
CID 81047859
2-(4,5,7-trichloro-1-benzofuran-3-yl)ethanamine
CID 81048028
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
CID 18872133
5-bromo-3,4,6-trimethyl-1-benzofuran-2-carbonitrile
CID 107726145
2-(7-bromo-1-benzofuran-3-yl)ethanamine
CID 81048635
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine (CID 107727451) is 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine is Cc1cc2occ(CCN)c2c(C)c1Br.
What is the InChIKey of 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is CPACDJOXWZTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-7-5-10-11(8(2)12(7)13)9(3-4-14)6-15-10/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine?
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 268.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 107727451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).