N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine

C12H20N2O2S — CID 54939511

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-14(7-8-17(2,15)16)10-12-5-3-11(9-13)4-6-12/h3-6H,7-10,13H2,1-2H3
InChIKeyMZHDSWCURWCVRE-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.62
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 54939511) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID54939511
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-14(7-8-17(2,15)16)10-12-5-3-11(9-13)4-6-12/h3-6H,7-10,13H2,1-2H3
InChIKeyMZHDSWCURWCVRE-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
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CID 79858213
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
CID 110009651
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
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CID 61014687

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine (CID 54939511) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine is CN(CCS(C)(=O)=O)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is MZHDSWCURWCVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14(7-8-17(2,15)16)10-12-5-3-11(9-13)4-6-12/h3-6H,7-10,13H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 256.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 54939511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).