7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

C11H12FNOS — CID 22171134

IUPAC7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1ccc(F)c2sc(N(C)C)cc12
InChIInChI=1S/C11H12FNOS/c1-13(2)10-6-7-9(14-3)5-4-8(12)11(7)15-10/h4-6H,1-3H3
InChIKeyNHSJRBAHIFZGOT-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds2

About 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 22171134) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID22171134
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1ccc(F)c2sc(N(C)C)cc12
InChIInChI=1S/C11H12FNOS/c1-13(2)10-6-7-9(14-3)5-4-8(12)11(7)15-10/h4-6H,1-3H3
InChIKeyNHSJRBAHIFZGOT-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (CID 22171134) is 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is COc1ccc(F)c2sc(N(C)C)cc12.
What is the InChIKey of 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is NHSJRBAHIFZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-13(2)10-6-7-9(14-3)5-4-8(12)11(7)15-10/h4-6H,1-3H3.
What are the key properties of 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine has a molecular weight of 225.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 22171134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).