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

C15H15BrFNS — CID 55018560

IUPAC1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-6-2-4-8-13(11)17)19-14-9-5-3-7-12(14)16/h2-10,15H,18H2,1H3
InChIKeyGJNZTTHGBOKPPT-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.77
Rot. Bonds4

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

1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (PubChem CID 55018560) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
PubChem CID55018560
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-6-2-4-8-13(11)17)19-14-9-5-3-7-12(14)16/h2-10,15H,18H2,1H3
InChIKeyGJNZTTHGBOKPPT-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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Related Compounds

1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015420
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 55019046
1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55018556
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanylpropan-1-ol
CID 66115906

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (CID 55018560) is 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Sc1ccccc1Br)c1ccccc1F.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is GJNZTTHGBOKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)15(11-6-2-4-8-13(11)17)19-14-9-5-3-7-12(14)16/h2-10,15H,18H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
1-(2-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-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55018560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).