2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

C14H15F2NS — CID 115810291

IUPAC2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2F)sc1C
InChIInChI=1S/C14H15F2NS/c1-8-5-14(18-9(8)2)13(17)7-10-6-11(15)3-4-12(10)16/h3-6,13H,7,17H2,1-2H3
InChIKeyUSFDWFFBZAJKOA-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.89
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 115810291) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
PubChem CID115810291
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2F)sc1C
InChIInChI=1S/C14H15F2NS/c1-8-5-14(18-9(8)2)13(17)7-10-6-11(15)3-4-12(10)16/h3-6,13H,7,17H2,1-2H3
InChIKeyUSFDWFFBZAJKOA-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115809781
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (CID 115810291) is 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C(N)Cc2cc(F)ccc2F)sc1C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is USFDWFFBZAJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8-5-14(18-9(8)2)13(17)7-10-6-11(15)3-4-12(10)16/h3-6,13H,7,17H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115810291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).