1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine

C14H23NO2S — CID 103780969

IUPAC1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-18(16,17)9-8-15-13(4)14-7-6-11(2)10-12(14)3/h6-7,10,13,15H,5,8-9H2,1-4H3
InChIKeyYLZZGRBSGZXOBN-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.39
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine

1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 103780969) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID103780969
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-18(16,17)9-8-15-13(4)14-7-6-11(2)10-12(14)3/h6-7,10,13,15H,5,8-9H2,1-4H3
InChIKeyYLZZGRBSGZXOBN-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine (CID 103780969) is 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCNC(C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is YLZZGRBSGZXOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-18(16,17)9-8-15-13(4)14-7-6-11(2)10-12(14)3/h6-7,10,13,15H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 103780969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).