1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine

C15H18FNOS — CID 55072854

IUPAC1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1COC1CCC1
InChIInChI=1S/C15H18FNOS/c1-17-8-14-11(9-18-10-4-2-5-10)15-12(16)6-3-7-13(15)19-14/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyXRJXJXOEZNTFQI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine

1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine (PubChem CID 55072854) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
PubChem CID55072854
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1COC1CCC1
InChIInChI=1S/C15H18FNOS/c1-17-8-14-11(9-18-10-4-2-5-10)15-12(16)6-3-7-13(15)19-14/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyXRJXJXOEZNTFQI-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyran-1-yl)-3-(4-fluorophenyl)-N,N-dimethylpentan-3-amine
CID 67481232
1-[2-[1-ethoxy-2-(2-fluorophenyl)ethyl]-1-benzothiophen-3-yl]-N,N-dimethylmethanamine
CID 68404526
1-(2-fluoro-7-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
CID 167437527
1-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273761
2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273770
2-(2-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273784
1-(2-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273807
2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273808
N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 55073014
N-[[3-(ethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 55073064
1-[4-fluoro-3-(2-methylpropoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 55073164
[4-Fluoro-3-(prop-2-enoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 55073198

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine (CID 55072854) is 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine is CNCc1sc2cccc(F)c2c1COC1CCC1.
What is the InChIKey of 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine?
The InChIKey is XRJXJXOEZNTFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-17-8-14-11(9-18-10-4-2-5-10)15-12(16)6-3-7-13(15)19-14/h3,6-7,10,17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine?
1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutyloxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55072854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).