(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine

C15H17NO2S — CID 24689071

IUPAC(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)19(2,17)18/h3-10,15H,16H2,1-2H3
InChIKeyPGUYKZBFMCLPFZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.45
Rot. Bonds3

About (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine

(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine (PubChem CID 24689071) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine
PubChem CID24689071
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)19(2,17)18/h3-10,15H,16H2,1-2H3
InChIKeyPGUYKZBFMCLPFZ-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine (CID 24689071) is (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine is Cc1ccc(C(N)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine?
The InChIKey is PGUYKZBFMCLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)19(2,17)18/h3-10,15H,16H2,1-2H3.
What are the key properties of (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine?
(4-methylphenyl)-(3-methylsulfonylphenyl)methanamine has a molecular weight of 275.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 24689071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).