N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine

C12H17Cl2NO2S — CID 64629500

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-9(8-18(2,16)17)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyRTDIHOQMEVDTQQ-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine

N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64629500) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID64629500
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-9(8-18(2,16)17)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyRTDIHOQMEVDTQQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine 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

N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
CID 43099770
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97334141
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine (CID 64629500) is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is RTDIHOQMEVDTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-9(8-18(2,16)17)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 310.25 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).