1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

C12H9Cl3FNS — CID 43486782

IUPAC1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl3FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3
InChIKeyKUBWEHRNUHQACY-UHFFFAOYSA-N
MW324.64 g/mol
LogP5.16
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 43486782) has the molecular formula C12H9Cl3FNS and a molecular weight of 324.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID43486782
Molecular FormulaC12H9Cl3FNS
Molecular Weight324.64 g/mol
Exact Mass322.95
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl3FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3
InChIKeyKUBWEHRNUHQACY-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(4-chloro-2,5-difluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 82783004
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43486798
1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486843
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105173582
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 43486782) is 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is KUBWEHRNUHQACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 324.64 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43486782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).