1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine

C13H12BrF2NS — CID 63794981

IUPAC1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C13H12BrF2NS/c1-8(12-4-5-13(14)18-12)17-7-9-6-10(15)2-3-11(9)16/h2-6,8,17H,7H2,1H3
InChIKeyIDJPDJLYBNDICJ-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.64
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 63794981) has the molecular formula C13H12BrF2NS and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID63794981
Molecular FormulaC13H12BrF2NS
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C13H12BrF2NS/c1-8(12-4-5-13(14)18-12)17-7-9-6-10(15)2-3-11(9)16/h2-6,8,17H,7H2,1H3
InChIKeyIDJPDJLYBNDICJ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 61335935
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54953144
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680147
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 63794981) is 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is IDJPDJLYBNDICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NS/c1-8(12-4-5-13(14)18-12)17-7-9-6-10(15)2-3-11(9)16/h2-6,8,17H,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 332.21 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63794981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).