1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

C15H14BrCl2NS — CID 63537905

IUPAC1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2NS/c1-9(19)15(10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9,15H,19H2,1H3
InChIKeyJJSNRFCHKJIRMF-UHFFFAOYSA-N
MW391.16 g/mol
LogP5.94
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (PubChem CID 63537905) has the molecular formula C15H14BrCl2NS and a molecular weight of 391.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
PubChem CID63537905
Molecular FormulaC15H14BrCl2NS
Molecular Weight391.16 g/mol
Exact Mass388.94
IUPAC Name1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2NS/c1-9(19)15(10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9,15H,19H2,1H3
InChIKeyJJSNRFCHKJIRMF-UHFFFAOYSA-N
XLogP5.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.16
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537236
1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
4-[1-(2,5-dichlorophenyl)sulfanylethyl]aniline
CID 61263164
1-(4-chlorophenyl)-1-(2-methylphenyl)sulfanylpropan-2-amine
CID 55015536
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64621434
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619
1-(4-bromophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 62255431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (CID 63537905) is 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is CC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The InChIKey is JJSNRFCHKJIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NS/c1-9(19)15(10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9,15H,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine has a molecular weight of 391.16 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 63537905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).