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

C16H19NOS — CID 105350932

IUPAC2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
SMILESCSc1ccc(OCc2ccc(CCN)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-19-16-8-6-15(7-9-16)18-12-14-4-2-13(3-5-14)10-11-17/h2-9H,10-12,17H2,1H3
InChIKeyVTEKSRQVVVOZOF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.49
Rot. Bonds6

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

2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350932) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350932
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
SMILESCSc1ccc(OCc2ccc(CCN)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-19-16-8-6-15(7-9-16)18-12-14-4-2-13(3-5-14)10-11-17/h2-9H,10-12,17H2,1H3
InChIKeyVTEKSRQVVVOZOF-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
CID 69309683
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine (CID 105350932) is 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine is CSc1ccc(OCc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is VTEKSRQVVVOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-19-16-8-6-15(7-9-16)18-12-14-4-2-13(3-5-14)10-11-17/h2-9H,10-12,17H2,1H3.
What are the key properties of 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).