2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine

C14H15BrN2S — CID 80651307

IUPAC2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Sc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2S/c1-10-7-11(5-6-16)9-17-14(10)18-13-4-2-3-12(15)8-13/h2-4,7-9H,5-6,16H2,1H3
InChIKeyFKIWYLDXWWSLEN-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.80
Rot. Bonds4

About 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine

2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80651307) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
PubChem CID80651307
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Sc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2S/c1-10-7-11(5-6-16)9-17-14(10)18-13-4-2-3-12(15)8-13/h2-4,7-9H,5-6,16H2,1H3
InChIKeyFKIWYLDXWWSLEN-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80650627
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
CID 80640130
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
CID 79734548
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80650537
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650592
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640521
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639402

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine (CID 80651307) is 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1Sc1cccc(Br)c1.
What is the InChIKey of 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is FKIWYLDXWWSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-10-7-11(5-6-16)9-17-14(10)18-13-4-2-3-12(15)8-13/h2-4,7-9H,5-6,16H2,1H3.
What are the key properties of 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine?
2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 323.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80651307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).