1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine

C15H14BrF2NS — CID 66056883

IUPAC1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Br)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2
InChIKeyVEHBLZCAGDJTBT-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine

1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine (PubChem CID 66056883) has the molecular formula C15H14BrF2NS and a molecular weight of 358.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
PubChem CID66056883
Molecular FormulaC15H14BrF2NS
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Br)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2
InChIKeyVEHBLZCAGDJTBT-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
CID 66054706
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine (CID 66056883) is 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine is NC(CSc1ccc(Br)cc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The InChIKey is VEHBLZCAGDJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine has a molecular weight of 358.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 66056883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).