1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine

C15H15BrFNS — CID 55019396

IUPAC1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-3-2-4-13(17)9-11)19-14-7-5-12(16)6-8-14/h2-10,15H,18H2,1H3
InChIKeyIRVYLKCHMSLYOE-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.77
Rot. Bonds4

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

1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine (PubChem CID 55019396) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
PubChem CID55019396
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)15(11-3-2-4-13(17)9-11)19-14-7-5-12(16)6-8-14/h2-10,15H,18H2,1H3
InChIKeyIRVYLKCHMSLYOE-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

2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(3-fluorophenyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 115382840
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine
CID 43345405
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
3-[2-amino-1-(3-fluorophenyl)propyl]sulfanylpropane-1,2-diol
CID 79682385
1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55015652
1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55018154

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine (CID 55019396) is 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine is CC(N)C(Sc1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is IRVYLKCHMSLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)15(11-3-2-4-13(17)9-11)19-14-7-5-12(16)6-8-14/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-1-(3-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-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55019396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).