(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine

C10H10FNOS — CID 112546161

IUPAC(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
SMILESCOc1c(CN)sc2c(F)cccc12
InChIInChI=1S/C10H10FNOS/c1-13-9-6-3-2-4-7(11)10(6)14-8(9)5-12/h2-4H,5,12H2,1H3
InChIKeyQZEAKVHKICFYAZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.51
Rot. Bonds2

About (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine

(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine (PubChem CID 112546161) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
PubChem CID112546161
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
SMILESCOc1c(CN)sc2c(F)cccc12
InChIInChI=1S/C10H10FNOS/c1-13-9-6-3-2-4-7(11)10(6)14-8(9)5-12/h2-4H,5,12H2,1H3
InChIKeyQZEAKVHKICFYAZ-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-methoxy-3-methyl-1-benzothiophene
CID 131098387
[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 114378325
7-fluoro-2,3-diiodo-1-benzothiophene
CID 130925510
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
2-bromo-7-fluoro-3-methyl-1-benzothiophene
CID 131080274
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
3-chloro-2,7-difluoro-1-benzothiophene
CID 130926138
N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine (CID 112546161) is (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine is COc1c(CN)sc2c(F)cccc12.
What is the InChIKey of (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine?
The InChIKey is QZEAKVHKICFYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-13-9-6-3-2-4-7(11)10(6)14-8(9)5-12/h2-4H,5,12H2,1H3.
What are the key properties of (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine?
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine has a molecular weight of 211.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 112546161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).