1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine

C16H13ClFNS — CID 115801543

IUPAC1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccccc1Cl
InChIInChI=1S/C16H13ClFNS/c1-19-16(12-4-2-3-5-13(12)17)15-8-10-6-7-11(18)9-14(10)20-15/h2-9,16,19H,1H3
InChIKeyKVOUVJPQPOSLNI-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.00
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 115801543) has the molecular formula C16H13ClFNS and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID115801543
Molecular FormulaC16H13ClFNS
Molecular Weight305.81 g/mol
Exact Mass305.04
IUPAC Name1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccccc1Cl
InChIInChI=1S/C16H13ClFNS/c1-19-16(12-4-2-3-5-13(12)17)15-8-10-6-7-11(18)9-14(10)20-15/h2-9,16,19H,1H3
InChIKeyKVOUVJPQPOSLNI-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-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038390
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093655
1-(5-bromo-4-methylthiophen-2-yl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 81105147
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 102828239
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81104818

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 115801543) is 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is CNC(c1cc2ccc(F)cc2s1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is KVOUVJPQPOSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNS/c1-19-16(12-4-2-3-5-13(12)17)15-8-10-6-7-11(18)9-14(10)20-15/h2-9,16,19H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-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-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115801543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).