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

C13H15BrFNO — CID 61281522

IUPAC1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C13H15BrFNO/c1-4-16-8(3)12-7(2)10-5-9(14)6-11(15)13(10)17-12/h5-6,8,16H,4H2,1-3H3
InChIKeyOLPLBOSALLSANS-UHFFFAOYSA-N
MW300.17 g/mol
LogP4.31
Rot. Bonds3

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

1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 61281522) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID61281522
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C13H15BrFNO/c1-4-16-8(3)12-7(2)10-5-9(14)6-11(15)13(10)17-12/h5-6,8,16H,4H2,1-3H3
InChIKeyOLPLBOSALLSANS-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 54.31
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-methylethanamine
CID 61281325
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43155146
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 63398731
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439618
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
2,4-bis(3-amino-5-bromo-7-fluoro-1-benzofuran-2-yl)pentan-3-one
CID 156693009
5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013295

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (CID 61281522) is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1oc2c(F)cc(Br)cc2c1C.
What is the InChIKey of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is OLPLBOSALLSANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-4-16-8(3)12-7(2)10-5-9(14)6-11(15)13(10)17-12/h5-6,8,16H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 300.17 g/mol, XLogP of 4.31, 3 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-ethylethanamine is sourced from PubChem (CID 61281522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).