1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine

C11H15BrFNS — CID 65128193

IUPAC1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNS/c1-2-15-7-10(14)5-8-3-4-9(13)6-11(8)12/h3-4,6,10H,2,5,7,14H2,1H3
InChIKeyJTCUSHQFPDRSAM-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine

1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine (PubChem CID 65128193) has the molecular formula C11H15BrFNS and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
PubChem CID65128193
Molecular FormulaC11H15BrFNS
Molecular Weight292.22 g/mol
Exact Mass291.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNS/c1-2-15-7-10(14)5-8-3-4-9(13)6-11(8)12/h3-4,6,10H,2,5,7,14H2,1H3
InChIKeyJTCUSHQFPDRSAM-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-[(2-bromo-4-fluorophenyl)methylsulfanyl]propan-2-amine
CID 66218498
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
CID 62717569
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine (CID 65128193) is 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine is CCSCC(N)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The InChIKey is JTCUSHQFPDRSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNS/c1-2-15-7-10(14)5-8-3-4-9(13)6-11(8)12/h3-4,6,10H,2,5,7,14H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine has a molecular weight of 292.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 65128193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).