1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine

C15H14BrCl2NS — CID 66144457

IUPAC1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12H,8-9,19H2
InChIKeyDNRNTSZJJJWXFY-UHFFFAOYSA-N
MW391.16 g/mol
LogP5.42
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine

1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine (PubChem CID 66144457) has the molecular formula C15H14BrCl2NS and a molecular weight of 391.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
PubChem CID66144457
Molecular FormulaC15H14BrCl2NS
Molecular Weight391.16 g/mol
Exact Mass388.94
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12H,8-9,19H2
InChIKeyDNRNTSZJJJWXFY-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.16
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
2-[(2-bromophenyl)sulfanylmethyl]-5-chloroaniline
CID 62102418
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine (CID 66144457) is 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine is NC(CSc1ccccc1Br)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine?
The InChIKey is DNRNTSZJJJWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(17)5-6-14(10)18/h1-7,12H,8-9,19H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine has a molecular weight of 391.16 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 66144457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).