2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline

C15H18N2O2S — CID 63759186

IUPAC2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
SMILESCCS(=O)(=O)c1ccc(Nc2ccccc2CN)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-20(18,19)14-9-7-13(8-10-14)17-15-6-4-3-5-12(15)11-16/h3-10,17H,2,11,16H2,1H3
InChIKeyGDZIYDHVNXFTNB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.68
Rot. Bonds5

About 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline

2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline (PubChem CID 63759186) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
PubChem CID63759186
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
SMILESCCS(=O)(=O)c1ccc(Nc2ccccc2CN)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-20(18,19)14-9-7-13(8-10-14)17-15-6-4-3-5-12(15)11-16/h3-10,17H,2,11,16H2,1H3
InChIKeyGDZIYDHVNXFTNB-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline (CID 63759186) is 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline is CCS(=O)(=O)c1ccc(Nc2ccccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline?
The InChIKey is GDZIYDHVNXFTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-20(18,19)14-9-7-13(8-10-14)17-15-6-4-3-5-12(15)11-16/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline?
2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline has a molecular weight of 290.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline is sourced from PubChem (CID 63759186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).