2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine

C15H17NOS — CID 141168996

IUPAC2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
SMILESCc1ccc(Oc2ccc(SCCN)cc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)18-11-10-16/h2-9H,10-11,16H2,1H3
InChIKeyJQVHTWZKNLOVJW-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine

2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine (PubChem CID 141168996) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
PubChem CID141168996
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
SMILESCc1ccc(Oc2ccc(SCCN)cc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)18-11-10-16/h2-9H,10-11,16H2,1H3
InChIKeyJQVHTWZKNLOVJW-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
CID 141169012
1-propylsulfanyl-4-(4-propylsulfanylphenoxy)benzene
CID 3090414
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
CID 28918398
4-[3-(4-methylphenyl)sulfanylpropoxy]aniline
CID 43366275
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-[4-[4-(2-acetyloxyethylsulfanyl)phenoxy]phenyl]sulfanylethyl acetate
CID 3091140
3-[4-(2,5-dimethylphenyl)phenyl]sulfanylpropan-1-amine
CID 39371168
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine?
The IUPAC name of 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine (CID 141168996) is 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine is Cc1ccc(Oc2ccc(SCCN)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine?
The InChIKey is JQVHTWZKNLOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)18-11-10-16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine?
2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine is sourced from PubChem (CID 141168996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).