4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline

C14H24N2O2S — CID 106725897

IUPAC4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
SMILESCCN(CCS(=O)(=O)C(C)C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(9-10-19(17,18)12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyJTBIMDGJASTJOZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.91
Rot. Bonds7

About 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline

4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline (PubChem CID 106725897) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
PubChem CID106725897
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
SMILESCCN(CCS(=O)(=O)C(C)C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(9-10-19(17,18)12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyJTBIMDGJASTJOZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725915
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[2-[2-[(4-aminophenyl)methyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-ethylamino]acetate;methane
CID 160504488
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline?
The IUPAC name of 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline (CID 106725897) is 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline is CCN(CCS(=O)(=O)C(C)C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline?
The InChIKey is JTBIMDGJASTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(9-10-19(17,18)12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11,15H2,1-3H3.
What are the key properties of 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline?
4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline has a molecular weight of 284.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline is sourced from PubChem (CID 106725897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).