[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine

C14H14BrNS — CID 107931418

IUPAC[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
SMILESCc1ccc(Sc2ccccc2Br)c(CN)c1
InChIInChI=1S/C14H14BrNS/c1-10-6-7-13(11(8-10)9-16)17-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3
InChIKeyCPFJDCCIVPATRP-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.37
Rot. Bonds3

About [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine

[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine (PubChem CID 107931418) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
PubChem CID107931418
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
SMILESCc1ccc(Sc2ccccc2Br)c(CN)c1
InChIInChI=1S/C14H14BrNS/c1-10-6-7-13(11(8-10)9-16)17-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3
InChIKeyCPFJDCCIVPATRP-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine?
The IUPAC name of [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine (CID 107931418) is [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine?
The canonical SMILES for [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine is Cc1ccc(Sc2ccccc2Br)c(CN)c1.
What is the InChIKey of [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine?
The InChIKey is CPFJDCCIVPATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-10-6-7-13(11(8-10)9-16)17-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine?
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine has a molecular weight of 308.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine is sourced from PubChem (CID 107931418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).