2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline

C15H26N2O2S — CID 64629331

IUPAC2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-5-17(6-2)11-14-9-7-8-10-15(14)16-13(3)12-20(4,18)19/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyCPXYVRSAITYYSG-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.37
Rot. Bonds8

About 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline

2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline (PubChem CID 64629331) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
PubChem CID64629331
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-5-17(6-2)11-14-9-7-8-10-15(14)16-13(3)12-20(4,18)19/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyCPXYVRSAITYYSG-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline (CID 64629331) is 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline is CCN(CC)Cc1ccccc1NC(C)CS(C)(=O)=O.
What is the InChIKey of 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline?
The InChIKey is CPXYVRSAITYYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-17(6-2)11-14-9-7-8-10-15(14)16-13(3)12-20(4,18)19/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline?
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline has a molecular weight of 298.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 64629331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).