2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine

C15H15Cl2NO2S — CID 141036025

IUPAC2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
SMILESCS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(CCN)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19)12-3-5-15(10(8-12)6-7-18)20-11-2-4-13(16)14(17)9-11/h2-5,8-9H,6-7,18H2,1H3
InChIKeyGXSGITVPPGZEQG-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.02
Rot. Bonds5

About 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine

2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine (PubChem CID 141036025) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
PubChem CID141036025
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
SMILESCS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(CCN)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19)12-3-5-15(10(8-12)6-7-18)20-11-2-4-13(16)14(17)9-11/h2-5,8-9H,6-7,18H2,1H3
InChIKeyGXSGITVPPGZEQG-UHFFFAOYSA-N
XLogP4.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]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-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
CID 154573621
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine
CID 18428719
1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
CID 129390999
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
4-(3,4-dichlorophenoxy)-3-ethylsulfanylaniline
CID 23451804
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine?
The IUPAC name of 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine (CID 141036025) is 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine?
The canonical SMILES for 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine is CS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(CCN)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine?
The InChIKey is GXSGITVPPGZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-21(19)12-3-5-15(10(8-12)6-7-18)20-11-2-4-13(16)14(17)9-11/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine?
2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine is sourced from PubChem (CID 141036025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).