[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine

C14H14BrNOS — CID 113385388

IUPAC[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(Oc2cccc(Br)c2)c1CN
InChIInChI=1S/C14H14BrNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3
InChIKeyYQZZPFMQXKXARP-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.42
Rot. Bonds4

About [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine

[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine (PubChem CID 113385388) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
PubChem CID113385388
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(Oc2cccc(Br)c2)c1CN
InChIInChI=1S/C14H14BrNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3
InChIKeyYQZZPFMQXKXARP-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
3-(3-bromophenoxy)-2-iodophenol
CID 173228973
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
N-[2-(3-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 107644523

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine?
The IUPAC name of [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine (CID 113385388) is [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine.
What is the SMILES notation for [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine?
The canonical SMILES for [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine is CSc1cccc(Oc2cccc(Br)c2)c1CN.
What is the InChIKey of [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine?
The InChIKey is YQZZPFMQXKXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine?
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine has a molecular weight of 324.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine is sourced from PubChem (CID 113385388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).