1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine

C14H18FNOS — CID 105055088

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H18FNOS/c1-16-12(4-3-7-17-2)14-8-10-5-6-11(15)9-13(10)18-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyNFLFKPFXUBYNNM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds6

About 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 105055088) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
PubChem CID105055088
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H18FNOS/c1-16-12(4-3-7-17-2)14-8-10-5-6-11(15)9-13(10)18-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyNFLFKPFXUBYNNM-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
CID 105153215
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 105290885
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030725

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine (CID 105055088) is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is NFLFKPFXUBYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-16-12(4-3-7-17-2)14-8-10-5-6-11(15)9-13(10)18-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 105055088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).