1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine

C9H11BrFNS — CID 79742207

IUPAC1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNS/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9H,5,12H2,1H3
InChIKeyGQWXBWIUUXMWLV-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.95
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine

1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine (PubChem CID 79742207) has the molecular formula C9H11BrFNS and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
PubChem CID79742207
Molecular FormulaC9H11BrFNS
Molecular Weight264.16 g/mol
Exact Mass262.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNS/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9H,5,12H2,1H3
InChIKeyGQWXBWIUUXMWLV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(5-bromo-2-fluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 114894612

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine (CID 79742207) is 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine is CSCC(N)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine?
The InChIKey is GQWXBWIUUXMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNS/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9H,5,12H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine?
1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine has a molecular weight of 264.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 79742207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).