1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C13H13F2NS — CID 43484068

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)c1sccc1C
InChIInChI=1S/C13H13F2NS/c1-8-5-6-17-13(8)12(16-2)10-4-3-9(14)7-11(10)15/h3-7,12,16H,1-2H3
InChIKeyABMOVUZJQKIUEO-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.64
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 43484068) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID43484068
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)c1sccc1C
InChIInChI=1S/C13H13F2NS/c1-8-5-6-17-13(8)12(16-2)10-4-3-9(14)7-11(10)15/h3-7,12,16H,1-2H3
InChIKeyABMOVUZJQKIUEO-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 82884048
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166566
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 43484068) is 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1ccc(F)cc1F)c1sccc1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is ABMOVUZJQKIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-8-5-6-17-13(8)12(16-2)10-4-3-9(14)7-11(10)15/h3-7,12,16H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 253.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43484068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).