[2-(3-methylsulfonylphenoxy)phenyl]methanamine

C14H15NO3S — CID 43806812

IUPAC[2-(3-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1cccc(Oc2ccccc2CN)c1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)13-7-4-6-12(9-13)18-14-8-3-2-5-11(14)10-15/h2-9H,10,15H2,1H3
InChIKeyLWXDVNFJAWWHEB-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.34
Rot. Bonds4

About [2-(3-methylsulfonylphenoxy)phenyl]methanamine

[2-(3-methylsulfonylphenoxy)phenyl]methanamine (PubChem CID 43806812) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is [2-(3-methylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylsulfonylphenoxy)phenyl]methanamine
PubChem CID43806812
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name[2-(3-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1cccc(Oc2ccccc2CN)c1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)13-7-4-6-12(9-13)18-14-8-3-2-5-11(14)10-15/h2-9H,10,15H2,1H3
InChIKeyLWXDVNFJAWWHEB-UHFFFAOYSA-N
XLogP2.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807088
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 43806992
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803153
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [2-(3-methylsulfonylphenoxy)phenyl]methanamine (CID 43806812) is [2-(3-methylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(3-methylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-(3-methylsulfonylphenoxy)phenyl]methanamine is CS(=O)(=O)c1cccc(Oc2ccccc2CN)c1.
What is the InChIKey of [2-(3-methylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is LWXDVNFJAWWHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-19(16,17)13-7-4-6-12(9-13)18-14-8-3-2-5-11(14)10-15/h2-9H,10,15H2,1H3.
What are the key properties of [2-(3-methylsulfonylphenoxy)phenyl]methanamine?
[2-(3-methylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 277.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 43806812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).