2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine

C11H12FNS — CID 130050695

IUPAC2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cc(F)c2scc(CCN)c2c1
InChIInChI=1S/C11H12FNS/c1-7-4-9-8(2-3-13)6-14-11(9)10(12)5-7/h4-6H,2-3,13H2,1H3
InChIKeyNDLXZTOSCKAYOX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine

2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine (PubChem CID 130050695) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine
PubChem CID130050695
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cc(F)c2scc(CCN)c2c1
InChIInChI=1S/C11H12FNS/c1-7-4-9-8(2-3-13)6-14-11(9)10(12)5-7/h4-6H,2-3,13H2,1H3
InChIKeyNDLXZTOSCKAYOX-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3-methoxy-5-methyl-1-benzothiophene
CID 131053876
7-bromo-3-fluoro-5-methyl-1-benzothiophene
CID 131169430
N-[2-(5,7-difluoro-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048547
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
2-(2-fluoro-5-methylthiophen-3-yl)ethanamine
CID 96634223
2-(4-ethyl-5-methylthiophen-3-yl)ethanamine
CID 45106539
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
7-fluoro-5-methyl-1,3-benzothiazole
CID 129148981
2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
CID 21469698
4-(2,3-difluoro-5-methylphenyl)butan-1-amine
CID 117288646
2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
CID 18184170

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine (CID 130050695) is 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine is Cc1cc(F)c2scc(CCN)c2c1.
What is the InChIKey of 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine?
The InChIKey is NDLXZTOSCKAYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-7-4-9-8(2-3-13)6-14-11(9)10(12)5-7/h4-6H,2-3,13H2,1H3.
What are the key properties of 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine?
2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 130050695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).