4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline

C15H26N2O2S — CID 106722660

IUPAC4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
SMILESCCN(CCS(=O)(=O)C(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-17(10-11-20(18,19)15(2,3)4)14-8-6-13(12-16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyWSWUIHDYGPYMBR-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.18
Rot. Bonds6

About 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline

4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline (PubChem CID 106722660) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
PubChem CID106722660
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
SMILESCCN(CCS(=O)(=O)C(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-17(10-11-20(18,19)15(2,3)4)14-8-6-13(12-16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyWSWUIHDYGPYMBR-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine
CID 106725980
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63687286
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
4-[[2-tert-butylsulfonylethyl(propan-2-yl)amino]methyl]aniline
CID 106725914
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline (CID 106722660) is 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline is CCN(CCS(=O)(=O)C(C)(C)C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline?
The InChIKey is WSWUIHDYGPYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-17(10-11-20(18,19)15(2,3)4)14-8-6-13(12-16)7-9-14/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline?
4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline has a molecular weight of 298.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline is sourced from PubChem (CID 106722660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).