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

C17H16FNS — CID 107130130

IUPAC1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C17H16FNS/c1-11-7-8-13(9-14(11)18)17(19-2)16-10-12-5-3-4-6-15(12)20-16/h3-10,17,19H,1-2H3
InChIKeyMXDULIZNQAJWRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.66
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107130130) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107130130
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C17H16FNS/c1-11-7-8-13(9-14(11)18)17(19-2)16-10-12-5-3-4-6-15(12)20-16/h3-10,17,19H,1-2H3
InChIKeyMXDULIZNQAJWRU-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-2-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130991
1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483467
1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023280
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 61407065
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
CID 105285358
N-[1-benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79722957
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143264

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 107130130) is 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is MXDULIZNQAJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-11-7-8-13(9-14(11)18)17(19-2)16-10-12-5-3-4-6-15(12)20-16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107130130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).