2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine

C15H17NOS — CID 63802833

IUPAC2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccccc1Oc1ccc(CCN)cc1
InChIInChI=1S/C15H17NOS/c1-18-15-5-3-2-4-14(15)17-13-8-6-12(7-9-13)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyVRIJZXHPDSFBPK-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.70
Rot. Bonds5

About 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine

2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine (PubChem CID 63802833) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
PubChem CID63802833
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccccc1Oc1ccc(CCN)cc1
InChIInChI=1S/C15H17NOS/c1-18-15-5-3-2-4-14(15)17-13-8-6-12(7-9-13)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyVRIJZXHPDSFBPK-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815247
(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
CID 63647665
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63803686
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine (CID 63802833) is 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine is CSc1ccccc1Oc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The InChIKey is VRIJZXHPDSFBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-18-15-5-3-2-4-14(15)17-13-8-6-12(7-9-13)10-11-16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine?
2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63802833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).