1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

C12H13BrFNO — CID 61281325

IUPAC1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C12H13BrFNO/c1-6-9-4-8(13)5-10(14)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyGXKNWHRKFAJEBW-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.92
Rot. Bonds2

About 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 61281325) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID61281325
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C12H13BrFNO/c1-6-9-4-8(13)5-10(14)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyGXKNWHRKFAJEBW-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43155146
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 63398518
2,4-bis(3-amino-5-bromo-7-fluoro-1-benzofuran-2-yl)pentan-3-one
CID 156693009
1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 62783724
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
7-bromo-5-fluoro-3-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1-benzofuran
CID 167238912
5-bromo-7-fluoro-3-methyl-1-benzofuran
CID 70977139
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
CID 166532490

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 61281325) is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1oc2c(F)cc(Br)cc2c1C.
What is the InChIKey of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is GXKNWHRKFAJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-6-9-4-8(13)5-10(14)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3.
What are the key properties of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 286.14 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 61281325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).