1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

C15H14Cl2FNS — CID 63538237

IUPAC1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C15H14Cl2FNS/c1-9(19)15(11-4-2-3-5-13(11)18)20-14-8-10(16)6-7-12(14)17/h2-9,15H,19H2,1H3
InChIKeyFGASHQXOBBLPMY-UHFFFAOYSA-N
MW330.26 g/mol
LogP5.31
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (PubChem CID 63538237) has the molecular formula C15H14Cl2FNS and a molecular weight of 330.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
PubChem CID63538237
Molecular FormulaC15H14Cl2FNS
Molecular Weight330.26 g/mol
Exact Mass329.02
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C15H14Cl2FNS/c1-9(19)15(11-4-2-3-5-13(11)18)20-14-8-10(16)6-7-12(14)17/h2-9,15H,19H2,1H3
InChIKeyFGASHQXOBBLPMY-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537236
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537905
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
(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
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanylpropan-1-ol
CID 66115906

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (CID 63538237) is 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Sc1cc(Cl)ccc1Cl)c1ccccc1F.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is FGASHQXOBBLPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNS/c1-9(19)15(11-4-2-3-5-13(11)18)20-14-8-10(16)6-7-12(14)17/h2-9,15H,19H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 330.26 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63538237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).