1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine

C17H23FN2S — CID 62855871

IUPAC1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1CN(C)CC1CCC1
InChIInChI=1S/C17H23FN2S/c1-19-9-16-13(11-20(2)10-12-5-3-6-12)17-14(18)7-4-8-15(17)21-16/h4,7-8,12,19H,3,5-6,9-11H2,1-2H3
InChIKeyQMJSLDYTQKUPAV-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.99
Rot. Bonds6

About 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine

1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine (PubChem CID 62855871) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
PubChem CID62855871
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1CN(C)CC1CCC1
InChIInChI=1S/C17H23FN2S/c1-19-9-16-13(11-20(2)10-12-5-3-6-12)17-14(18)7-4-8-15(17)21-16/h4,7-8,12,19H,3,5-6,9-11H2,1-2H3
InChIKeyQMJSLDYTQKUPAV-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine
CID 62419083
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62462981
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
CID 63654913
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439358
1-[4-fluoro-3-(pentoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62450803
N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine
CID 62448216
1-[3-(but-2-enoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 76943711
1-[4-fluoro-3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62450292
1-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114413040
1-cyclohexyl-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106905342
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
1-[4-fluoro-3-(3-methylbut-3-enoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114470846

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine (CID 62855871) is 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine is CNCc1sc2cccc(F)c2c1CN(C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine?
The InChIKey is QMJSLDYTQKUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-19-9-16-13(11-20(2)10-12-5-3-6-12)17-14(18)7-4-8-15(17)21-16/h4,7-8,12,19H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine?
1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine has a molecular weight of 306.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 62855871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).