4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline

C16H20N2O2S — CID 62971157

IUPAC4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
SMILESCCS(=O)(=O)c1ccc(N(C)c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-21(19,20)16-10-8-15(9-11-16)18(2)14-6-4-13(12-17)5-7-14/h4-11H,3,12,17H2,1-2H3
InChIKeyMVIWKCMBJAJGMT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.71
Rot. Bonds5

About 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline

4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline (PubChem CID 62971157) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
PubChem CID62971157
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
SMILESCCS(=O)(=O)c1ccc(N(C)c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-21(19,20)16-10-8-15(9-11-16)18(2)14-6-4-13(12-17)5-7-14/h4-11H,3,12,17H2,1-2H3
InChIKeyMVIWKCMBJAJGMT-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
(4-propylsulfonylphenyl)methanamine
CID 57438061
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519
4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
CID 60921703
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
[4-(2-chloroethylsulfonyl)phenyl]methanamine
CID 19105459
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
1-(4-ethylsulfonyl-N-methylanilino)propan-2-one
CID 115234607
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline (CID 62971157) is 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline is CCS(=O)(=O)c1ccc(N(C)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline?
The InChIKey is MVIWKCMBJAJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-21(19,20)16-10-8-15(9-11-16)18(2)14-6-4-13(12-17)5-7-14/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline?
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline has a molecular weight of 304.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline is sourced from PubChem (CID 62971157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).