1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine

C16H13ClFNS — CID 105396900

IUPAC1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2s1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H13ClFNS/c1-19-16(12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3
InChIKeyDMYPOIHEJICWMT-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.00
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine

1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine (PubChem CID 105396900) has the molecular formula C16H13ClFNS and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
PubChem CID105396900
Molecular FormulaC16H13ClFNS
Molecular Weight305.81 g/mol
Exact Mass305.04
IUPAC Name1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2s1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H13ClFNS/c1-19-16(12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3
InChIKeyDMYPOIHEJICWMT-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093655
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 107361879
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143264
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 61407065
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130130

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine (CID 105396900) is 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine is CNC(c1cc2ccccc2s1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
The InChIKey is DMYPOIHEJICWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNS/c1-19-16(12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine?
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 5.00, 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-(2-chloro-5-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105396900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).