2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine

C17H21NO2S — CID 81319743

IUPAC2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
SMILESCc1ccc(S(=O)CCOc2ccc(CCN)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-2-8-17(9-3-14)21(19)13-12-20-16-6-4-15(5-7-16)10-11-18/h2-9H,10-13,18H2,1H3
InChIKeyAZWFAWRMWHBDNA-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine

2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine (PubChem CID 81319743) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
PubChem CID81319743
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
SMILESCc1ccc(S(=O)CCOc2ccc(CCN)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-2-8-17(9-3-14)21(19)13-12-20-16-6-4-15(5-7-16)10-11-18/h2-9H,10-13,18H2,1H3
InChIKeyAZWFAWRMWHBDNA-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-(4-methylphenyl)sulfinylethoxy]aniline
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2-[4-(4-methylphenoxy)phenyl]ethanamine
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CID 138454042
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
formaldehyde;2-(4-methylphenyl)ethanamine
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2-(4-propoxyphenyl)ethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine (CID 81319743) is 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine is Cc1ccc(S(=O)CCOc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine?
The InChIKey is AZWFAWRMWHBDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-2-8-17(9-3-14)21(19)13-12-20-16-6-4-15(5-7-16)10-11-18/h2-9H,10-13,18H2,1H3.
What are the key properties of 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine?
2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine is sourced from PubChem (CID 81319743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).