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

C15H17NOS — CID 63801985

IUPAC2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccc(Oc2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H17NOS/c1-18-15-8-6-14(7-9-15)17-13-4-2-12(3-5-13)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyLPVWXXIKHUNPCQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.70
Rot. Bonds5

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

2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine (PubChem CID 63801985) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
PubChem CID63801985
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccc(Oc2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H17NOS/c1-18-15-8-6-14(7-9-15)17-13-4-2-12(3-5-13)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyLPVWXXIKHUNPCQ-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-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63802833
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 171910793
tert-butyl 4-[4-(2-aminoethyl)phenoxy]benzoate
CID 69091237
4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
CID 11497243
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine (CID 63801985) is 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine is CSc1ccc(Oc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The InChIKey is LPVWXXIKHUNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-18-15-8-6-14(7-9-15)17-13-4-2-12(3-5-13)10-11-16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine?
2-[4-(4-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-(4-methylsulfanylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63801985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).