2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine

C15H15BrFNO2S — CID 105015570

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H15BrFNO2S/c1-21(19,20)14-4-2-3-11(8-14)15(18)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15H,7,18H2,1H3
InChIKeyLRBVHSLMWIKWQP-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 105015570) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID105015570
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H15BrFNO2S/c1-21(19,20)14-4-2-3-11(8-14)15(18)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15H,7,18H2,1H3
InChIKeyLRBVHSLMWIKWQP-UHFFFAOYSA-N
XLogP3.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115847759
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine (CID 105015570) is 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1cccc(C(N)Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is LRBVHSLMWIKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-21(19,20)14-4-2-3-11(8-14)15(18)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15H,7,18H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 372.26 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105015570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).