1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

C12H9Cl4NS — CID 43486861

IUPAC1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl4NS/c1-17-11(8-5-10(15)18-12(8)16)7-4-6(13)2-3-9(7)14/h2-5,11,17H,1H3
InChIKeyOYAMAQNEESYXJB-UHFFFAOYSA-N
MW341.09 g/mol
LogP5.67
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 43486861) has the molecular formula C12H9Cl4NS and a molecular weight of 341.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID43486861
Molecular FormulaC12H9Cl4NS
Molecular Weight341.09 g/mol
Exact Mass338.92
IUPAC Name1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl4NS/c1-17-11(8-5-10(15)18-12(8)16)7-4-6(13)2-3-9(7)14/h2-5,11,17H,1H3
InChIKeyOYAMAQNEESYXJB-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.09
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
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-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486843
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 43486861) is 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is OYAMAQNEESYXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl4NS/c1-17-11(8-5-10(15)18-12(8)16)7-4-6(13)2-3-9(7)14/h2-5,11,17H,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 341.09 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43486861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).