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

C10H9BrFNO — CID 62379223

IUPAC(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(F)cc(Br)cc12
InChIInChI=1S/C10H9BrFNO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3
InChIKeyFVHZDVXMTOFEQA-UHFFFAOYSA-N
MW258.09 g/mol
LogP3.10
Rot. Bonds1

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

(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 62379223) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID62379223
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(F)cc(Br)cc12
InChIInChI=1S/C10H9BrFNO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3
InChIKeyFVHZDVXMTOFEQA-UHFFFAOYSA-N
XLogP3.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)benzofuran
CID 19079348
(5-Bromobenzo[b]furan-2-yl)methylamine
CID 2795538
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine
CID 63216476
N-[(5-bromo-1-benzofuran-2-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137652392
(5-Fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 45792463
1-(2-Bromo-5-fluoro-1-benzofuran-7-yl)propan-2-amine
CID 9839610
Benzofuran, 5-bromo-2-(diethylaminomethyl)-3-phenyl-
CID 54589
2-Benzofurancarboximidamide, 5-bromo-N-hydroxy-3-methyl-
CID 9588617
1-(5-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 18965420
1-Benzofuran-2-ylmethanamine hydrochloride
CID 22467483
5-Bromo-3-methyl-1-benzofuran-2-carboxamide
CID 43236669
1-(7-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 43248591

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 62379223) is (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(CN)oc2c(F)cc(Br)cc12.
What is the InChIKey of (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is FVHZDVXMTOFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3.
What are the key properties of (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 258.09 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62379223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).