1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine

C13H13BrFNO — CID 113304928

IUPAC1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc2cc(Br)c(F)cc2o1)C1CC1
InChIInChI=1S/C13H13BrFNO/c1-16-13(7-2-3-7)12-5-8-4-9(14)10(15)6-11(8)17-12/h4-7,13,16H,2-3H2,1H3
InChIKeyIBQXLLFGIDBOJB-UHFFFAOYSA-N
MW298.16 g/mol
LogP4.00
Rot. Bonds3

About 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine

1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 113304928) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
PubChem CID113304928
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc2cc(Br)c(F)cc2o1)C1CC1
InChIInChI=1S/C13H13BrFNO/c1-16-13(7-2-3-7)12-5-8-4-9(14)10(15)6-11(8)17-12/h4-7,13,16H,2-3H2,1H3
InChIKeyIBQXLLFGIDBOJB-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 115410682
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 115410701
1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 65441197
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 114728254
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 107669295
1-(4-bromo-2,5-difluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81331183
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691
2-[[(4-bromo-2,5-difluorophenyl)-cyclopropylmethyl]amino]ethanol
CID 138026647
5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
CID 115410664
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine (CID 113304928) is 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine is CNC(c1cc2cc(Br)c(F)cc2o1)C1CC1.
What is the InChIKey of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is IBQXLLFGIDBOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-16-13(7-2-3-7)12-5-8-4-9(14)10(15)6-11(8)17-12/h4-7,13,16H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 298.16 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 113304928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).