1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

C15H15BrFNS — CID 106645751

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)c1cccc(Br)c1F
InChIInChI=1S/C15H15BrFNS/c1-10-5-2-3-8-14(10)19-9-13(18)11-6-4-7-12(16)15(11)17/h2-8,13H,9,18H2,1H3
InChIKeyOBHMFJAKAHPICT-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 106645751) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID106645751
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)c1cccc(Br)c1F
InChIInChI=1S/C15H15BrFNS/c1-10-5-2-3-8-14(10)19-9-13(18)11-6-4-7-12(16)15(11)17/h2-8,13H,9,18H2,1H3
InChIKeyOBHMFJAKAHPICT-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (CID 106645751) is 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SCC(N)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is OBHMFJAKAHPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10-5-2-3-8-14(10)19-9-13(18)11-6-4-7-12(16)15(11)17/h2-8,13H,9,18H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 340.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 106645751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).