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

C15H15BrFNS — CID 55015420

IUPAC1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-10,15H,18H2,1H3
InChIKeyXCRGBJXRZSDWJD-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.77
Rot. Bonds4

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

1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine (PubChem CID 55015420) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
PubChem CID55015420
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-10,15H,18H2,1H3
InChIKeyXCRGBJXRZSDWJD-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-methylphenyl)propan-2-amine
CID 55016619
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
CID 55014840
1-(4-fluorophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55015226
2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 43232305
2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64612670
1-(4-chlorophenyl)-1-(2-methylphenyl)sulfanylpropan-2-amine
CID 55015536
1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55015222
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 63538069
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine (CID 55015420) is 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine is CC(N)C(Sc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is XCRGBJXRZSDWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-10,15H,18H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-1-(4-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-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55015420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).