(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

C14H11BrFNOS — CID 55147848

IUPAC(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)s2)oc2cc(F)ccc12
InChIInChI=1S/C14H11BrFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyOXRJFLVPDXLORI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.75
Rot. Bonds2

About (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 55147848) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID55147848
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC Name(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)s2)oc2cc(F)ccc12
InChIInChI=1S/C14H11BrFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyOXRJFLVPDXLORI-UHFFFAOYSA-N
XLogP4.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-Fluorodibenzofuran-2-yl)-thiophen-3-ylmethanamine
CID 69796043
(8-Fluorodibenzofuran-2-yl)-thiophen-2-ylmethanamine
CID 69800944
N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090844
N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 24617922
N-[2-(5-bromothiophen-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 24617923
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 32776364
N-[(5-bromothiophen-2-yl)methyl]-1-[5-(4-fluorophenyl)furan-2-yl]methanamine
CID 37808421
(5-Bromo-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 43149737
(5-Bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-Bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine
CID 43149743
(6-Fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 55147653
(5-Chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 55147847

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 55147848) is (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)c2ccc(Br)s2)oc2cc(F)ccc12.
What is the InChIKey of (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is OXRJFLVPDXLORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
(5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 340.22 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 55147848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).