[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine

C15H17NO3S — CID 43806918

IUPAC[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCS(=O)(=O)c1cccc(OCc2cccc(CN)c2)c1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)15-7-3-6-14(9-15)19-11-13-5-2-4-12(8-13)10-16/h2-9H,10-11,16H2,1H3
InChIKeyROPXMKDYLWCTLL-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.13
Rot. Bonds5

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

[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine (PubChem CID 43806918) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
PubChem CID43806918
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCS(=O)(=O)c1cccc(OCc2cccc(CN)c2)c1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)15-7-3-6-14(9-15)19-11-13-5-2-4-12(8-13)10-16/h2-9H,10-11,16H2,1H3
InChIKeyROPXMKDYLWCTLL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-3-[(3-prop-2-ynoxyphenoxy)methyl]benzene
CID 141496685
4-[(3-methylsulfonylphenoxy)methyl]benzonitrile
CID 43612912
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
3-chloro-2-[(3-methylsulfonylphenoxy)methyl]aniline
CID 63746458
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238
[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259849
2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine
CID 70991681
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
CID 43448183

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine (CID 43806918) is [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine is CS(=O)(=O)c1cccc(OCc2cccc(CN)c2)c1.
What is the InChIKey of [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The InChIKey is ROPXMKDYLWCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(17,18)15-7-3-6-14(9-15)19-11-13-5-2-4-12(8-13)10-16/h2-9H,10-11,16H2,1H3.
What are the key properties of [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine has a molecular weight of 291.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43806918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).