2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine

C9H11BrFNS — CID 105424599

IUPAC2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
SMILESCSc1ccc(C(F)CN)cc1Br
InChIInChI=1S/C9H11BrFNS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8H,5,12H2,1H3
InChIKeyAYOBTPUNGGBLIR-UHFFFAOYSA-N
MW264.16 g/mol
LogP3.14
Rot. Bonds3

About 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine

2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine (PubChem CID 105424599) has the molecular formula C9H11BrFNS and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
PubChem CID105424599
Molecular FormulaC9H11BrFNS
Molecular Weight264.16 g/mol
Exact Mass262.98
IUPAC Name2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
SMILESCSc1ccc(C(F)CN)cc1Br
InChIInChI=1S/C9H11BrFNS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8H,5,12H2,1H3
InChIKeyAYOBTPUNGGBLIR-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
CID 84710742
2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine
CID 105424737
N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
2-(3-bromo-4-methylsulfanylphenyl)-2-methylpropan-1-amine
CID 105424605
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2-fluoro-N-methylethanamine
CID 105424604
2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468734
2-bromo-4-(iodomethyl)-1-methylsulfanylbenzene
CID 91881549
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine?
The IUPAC name of 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine (CID 105424599) is 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine is CSc1ccc(C(F)CN)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine?
The InChIKey is AYOBTPUNGGBLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8H,5,12H2,1H3.
What are the key properties of 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine?
2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine has a molecular weight of 264.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine is sourced from PubChem (CID 105424599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).