1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

C15H15BrFNS — CID 55018607

IUPAC1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(13-4-2-3-5-14(13)17)19-12-8-6-11(16)7-9-12/h2-10,15H,18H2,1H3
InChIKeyJLAWOPYITYKCLB-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.77
Rot. Bonds4

About 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (PubChem CID 55018607) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
PubChem CID55018607
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(13-4-2-3-5-14(13)17)19-12-8-6-11(16)7-9-12/h2-10,15H,18H2,1H3
InChIKeyJLAWOPYITYKCLB-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (CID 55018607) is 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Sc1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is JLAWOPYITYKCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)15(13-4-2-3-5-14(13)17)19-12-8-6-11(16)7-9-12/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 340.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55018607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).