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

C17H23FN2S — CID 62419083

IUPACN-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine
SMILESCNCc1sc2cccc(F)c2c1CN(C)C1CCCC1
InChIInChI=1S/C17H23FN2S/c1-19-10-16-13(11-20(2)12-6-3-4-7-12)17-14(18)8-5-9-15(17)21-16/h5,8-9,12,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyWQJZHSKIUWGUEU-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.13
Rot. Bonds5

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

N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine (PubChem CID 62419083) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine
PubChem CID62419083
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC NameN-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine
SMILESCNCc1sc2cccc(F)c2c1CN(C)C1CCCC1
InChIInChI=1S/C17H23FN2S/c1-19-10-16-13(11-20(2)12-6-3-4-7-12)17-14(18)8-5-9-15(17)21-16/h5,8-9,12,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyWQJZHSKIUWGUEU-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
CID 62855871
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62462981
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
1-[4-fluoro-3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62457697
1-[3-(2,2-difluoroethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 82006651
1-[3-(but-2-enoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 76943711
1-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114413040
1-[4-fluoro-3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62450292
1-[4-fluoro-3-(3-methylbut-3-enoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114470846
1-[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62447247
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
CID 63654913

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine (CID 62419083) is N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine is CNCc1sc2cccc(F)c2c1CN(C)C1CCCC1.
What is the InChIKey of N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is WQJZHSKIUWGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-19-10-16-13(11-20(2)12-6-3-4-7-12)17-14(18)8-5-9-15(17)21-16/h5,8-9,12,19H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine?
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 306.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 62419083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).