2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine

C15H17NO3S — CID 63803153

IUPAC2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(CCN)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)15-4-2-3-14(11-15)19-13-7-5-12(6-8-13)9-10-16/h2-8,11H,9-10,16H2,1H3
InChIKeyVRBXKJMLSQVTHT-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine

2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine (PubChem CID 63803153) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
PubChem CID63803153
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(CCN)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)15-4-2-3-14(11-15)19-13-7-5-12(6-8-13)9-10-16/h2-8,11H,9-10,16H2,1H3
InChIKeyVRBXKJMLSQVTHT-UHFFFAOYSA-N
XLogP2.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
3-(3-methylsulfonylphenoxy)benzenethiol
CID 155585061
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine (CID 63803153) is 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine is CS(=O)(=O)c1cccc(Oc2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The InChIKey is VRBXKJMLSQVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(17,18)15-4-2-3-14(11-15)19-13-7-5-12(6-8-13)9-10-16/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63803153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).