1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C17H18FNS — CID 105142911

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1CSc2ccccc21
InChIInChI=1S/C17H18FNS/c1-11-9-12(7-8-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3
InChIKeyKSWJVTUYYYRGEW-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.28
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105142911) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105142911
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1CSc2ccccc21
InChIInChI=1S/C17H18FNS/c1-11-9-12(7-8-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3
InChIKeyKSWJVTUYYYRGEW-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105108762
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105175436
N-[(2,3-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105150794
1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156258
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
CID 105094887

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 105142911) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is KSWJVTUYYYRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-11-9-12(7-8-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105142911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).