1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C17H16FNS — CID 63049999

IUPAC1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1csc2ccccc12
InChIInChI=1S/C17H16FNS/c1-11-7-8-12(18)9-14(11)17(19-2)15-10-20-16-6-4-3-5-13(15)16/h3-10,17,19H,1-2H3
InChIKeyJZQAGOZWVVLVEV-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.66
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 63049999) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID63049999
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1csc2ccccc12
InChIInChI=1S/C17H16FNS/c1-11-7-8-12(18)9-14(11)17(19-2)15-10-20-16-6-4-3-5-13(15)16/h3-10,17,19H,1-2H3
InChIKeyJZQAGOZWVVLVEV-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-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43485809
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105142364
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485769
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844
1-(1-benzothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998605

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 63049999) is 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is JZQAGOZWVVLVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-11-7-8-12(18)9-14(11)17(19-2)15-10-20-16-6-4-3-5-13(15)16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-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-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).