1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine

C15H15BrFNS — CID 55259817

IUPAC1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)7-11-8-13(17)5-6-15(11)19-14-4-2-3-12(16)9-14/h2-6,8-10H,7,18H2,1H3
InChIKeyXVLIKVFBMDQPDQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.63
Rot. Bonds4

About 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine

1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine (PubChem CID 55259817) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine
PubChem CID55259817
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)7-11-8-13(17)5-6-15(11)19-14-4-2-3-12(16)9-14/h2-6,8-10H,7,18H2,1H3
InChIKeyXVLIKVFBMDQPDQ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine (CID 55259817) is 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1Sc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine?
The InChIKey is XVLIKVFBMDQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)7-11-8-13(17)5-6-15(11)19-14-4-2-3-12(16)9-14/h2-6,8-10H,7,18H2,1H3.
What are the key properties of 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine?
1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine has a molecular weight of 340.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 55259817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).