1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C19H25NO2S — CID 51086177

IUPAC1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(CS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H25NO2S/c1-14-9-15(2)19(16(3)10-14)12-20-11-17-5-7-18(8-6-17)13-23(4,21)22/h5-10,20H,11-13H2,1-4H3
InChIKeyRUBBNSNQCWAVJN-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 51086177) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID51086177
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(CS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H25NO2S/c1-14-9-15(2)19(16(3)10-14)12-20-11-17-5-7-18(8-6-17)13-23(4,21)22/h5-10,20H,11-13H2,1-4H3
InChIKeyRUBBNSNQCWAVJN-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 51086177) is 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2ccc(CS(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is RUBBNSNQCWAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14-9-15(2)19(16(3)10-14)12-20-11-17-5-7-18(8-6-17)13-23(4,21)22/h5-10,20H,11-13H2,1-4H3.
What are the key properties of 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine has a molecular weight of 331.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfonylmethyl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 51086177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).