(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

C14H12FNOS — CID 63067521

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESCc1c(C(N)c2cccs2)oc2cc(F)ccc12
InChIInChI=1S/C14H12FNOS/c1-8-10-5-4-9(15)7-11(10)17-14(8)13(16)12-3-2-6-18-12/h2-7,13H,16H2,1H3
InChIKeyRLYQSYRPQMGPGN-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.99
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (PubChem CID 63067521) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
PubChem CID63067521
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESCc1c(C(N)c2cccs2)oc2cc(F)ccc12
InChIInChI=1S/C14H12FNOS/c1-8-10-5-4-9(15)7-11(10)17-14(8)13(16)12-3-2-6-18-12/h2-7,13H,16H2,1H3
InChIKeyRLYQSYRPQMGPGN-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 18965420
1-(7-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 43248591
[4-[4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methanamine
CID 139246230
1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 2993608
1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 4723459
1-(5-Fluoro-3-methyl-1-benzofuran-2-yl)ethan-1-amine
CID 43155130
(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 51885327
(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 51885329
1-(6-Fluoro-1-benzofuran-2-yl)ethanamine
CID 54498627
1-[6-(Difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine
CID 54504092
1-(5-Fluorobenzofuran-2-yl)-2-methylpropan-1-amine
CID 65438276
1-(5-Fluorobenzofuran-2-yl)butan-1-amine
CID 65438463

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (CID 63067521) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is Cc1c(C(N)c2cccs2)oc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is RLYQSYRPQMGPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-8-10-5-4-9(15)7-11(10)17-14(8)13(16)12-3-2-6-18-12/h2-7,13H,16H2,1H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 63067521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).