3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

C11H12FNOS — CID 54191147

IUPAC3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1ccc2c(F)c(N(C)C)sc2c1
InChIInChI=1S/C11H12FNOS/c1-13(2)11-10(12)8-5-4-7(14-3)6-9(8)15-11/h4-6H,1-3H3
InChIKeyPIPJTLJIZWFYAO-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds2

About 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 54191147) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID54191147
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1ccc2c(F)c(N(C)C)sc2c1
InChIInChI=1S/C11H12FNOS/c1-13(2)11-10(12)8-5-4-7(14-3)6-9(8)15-11/h4-6H,1-3H3
InChIKeyPIPJTLJIZWFYAO-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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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methoxy-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 66906984
6-Benzyloxy-2-dimethylaminobenzo[b]thiophene
CID 10612994
4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10657523
N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448718
2-Dimethylamino-5-fluoro-6-methoxybenzo[b]thiophene
CID 10775569
N-(7-fluoro-4-methoxy-1-benzothien-2-yl)-N,N-dimethylamine
CID 22171134
2-[4-(N,N-dimethylamino)phenyl]-6-(2-fluoroethoxy)benzothiophene
CID 46947167
4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46947168
2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46947355
4-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 57191503
1-[5-[4-(Trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine
CID 57202363
3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophen-2-amine
CID 68563850

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (CID 54191147) is 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is COc1ccc2c(F)c(N(C)C)sc2c1.
What is the InChIKey of 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is PIPJTLJIZWFYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-13(2)11-10(12)8-5-4-7(14-3)6-9(8)15-11/h4-6H,1-3H3.
What are the key properties of 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
3-fluoro-6-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 3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 54191147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).