1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine

C12H9Cl2F2NS — CID 43486798

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(F)cccc1F
InChIInChI=1S/C12H9Cl2F2NS/c1-17-11(6-5-9(13)18-12(6)14)10-7(15)3-2-4-8(10)16/h2-5,11,17H,1H3
InChIKeyZQBFXRDNJFBPOH-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.64
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 43486798) has the molecular formula C12H9Cl2F2NS and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID43486798
Molecular FormulaC12H9Cl2F2NS
Molecular Weight308.18 g/mol
Exact Mass306.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(F)cccc1F
InChIInChI=1S/C12H9Cl2F2NS/c1-17-11(6-5-9(13)18-12(6)14)10-7(15)3-2-4-8(10)16/h2-5,11,17H,1H3
InChIKeyZQBFXRDNJFBPOH-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.64
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-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(4-chloro-2,5-difluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 82783004
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43486821
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43486860
1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486843
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine (CID 43486798) is 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)sc1Cl)c1c(F)cccc1F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is ZQBFXRDNJFBPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2NS/c1-17-11(6-5-9(13)18-12(6)14)10-7(15)3-2-4-8(10)16/h2-5,11,17H,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 308.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43486798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).