N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine

C16H23FN2OS — CID 62448216

IUPACN-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCCNCc1sc2cccc(F)c2c1CN(C)CCOC
InChIInChI=1S/C16H23FN2OS/c1-4-18-10-15-12(11-19(2)8-9-20-3)16-13(17)6-5-7-14(16)21-15/h5-7,18H,4,8-11H2,1-3H3
InChIKeyBKFOLBVPMMMXNI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.23
Rot. Bonds8

About N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine

N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 62448216) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine
PubChem CID62448216
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC NameN-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCCNCc1sc2cccc(F)c2c1CN(C)CCOC
InChIInChI=1S/C16H23FN2OS/c1-4-18-10-15-12(11-19(2)8-9-20-3)16-13(17)6-5-7-14(16)21-15/h5-7,18H,4,8-11H2,1-3H3
InChIKeyBKFOLBVPMMMXNI-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]-1-benzothiophen-2-yl]methyl]ethanamine
CID 62455469
N-[[4-fluoro-3-(pentoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62450804
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62446892
N-[[4-fluoro-3-(2-methylbutan-2-yloxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62456056
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62462981
N-[[3-(but-2-enoxymethyl)-4-fluoro-1-benzothiophen-2-yl]methyl]ethanamine
CID 76943724
N-[[3-(2-cyclopropylethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]methyl]ethanamine
CID 106205849
1-[4-fluoro-3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62457697
1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
CID 62855871
methyl 4-fluoro-3-[[3-hydroxybutyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylate
CID 111488335
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439358
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 86911123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine (CID 62448216) is N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine is CCNCc1sc2cccc(F)c2c1CN(C)CCOC.
What is the InChIKey of N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is BKFOLBVPMMMXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-4-18-10-15-12(11-19(2)8-9-20-3)16-13(17)6-5-7-14(16)21-15/h5-7,18H,4,8-11H2,1-3H3.
What are the key properties of N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine?
N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 310.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 62448216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).