1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine

C15H17NO3S — CID 43807091

IUPAC1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-11(16)12-6-8-13(9-7-12)19-14-4-3-5-15(10-14)20(2,17)18/h3-11H,16H2,1-2H3
InChIKeyYSASXYCWOCMXBR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine

1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine (PubChem CID 43807091) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
PubChem CID43807091
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-11(16)12-6-8-13(9-7-12)19-14-4-3-5-15(10-14)20(2,17)18/h3-11H,16H2,1-2H3
InChIKeyYSASXYCWOCMXBR-UHFFFAOYSA-N
XLogP2.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807088
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803153
3-amino-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]butanamide;hydrochloride
CID 120501352
3-(3-methylsulfonylphenoxy)benzenethiol
CID 155585061
1-[5-fluoro-2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807090
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine (CID 43807091) is 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The InChIKey is YSASXYCWOCMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11(16)12-6-8-13(9-7-12)19-14-4-3-5-15(10-14)20(2,17)18/h3-11H,16H2,1-2H3.
What are the key properties of 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine?
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43807091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).