1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine

C12H11F2NS — CID 63990472

IUPAC1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2NS/c1-15-12(8-5-6-16-7-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3
InChIKeyDMAIKZRUNJNMHN-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.34
Rot. Bonds3

About 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 63990472) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID63990472
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2NS/c1-15-12(8-5-6-16-7-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3
InChIKeyDMAIKZRUNJNMHN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105196682
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62089841
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
CID 112745538
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
1-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
1-(2,3-difluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 62649182

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 63990472) is 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is DMAIKZRUNJNMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-15-12(8-5-6-16-7-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 239.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 63990472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).