2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine

C11H15Cl2NOS — CID 82181088

IUPAC2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
SMILESNCCOCCSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NOS/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2
InChIKeyGCUUBCMHUWDIHJ-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.20
Rot. Bonds7

About 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine

2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine (PubChem CID 82181088) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
PubChem CID82181088
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
SMILESNCCOCCSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NOS/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2
InChIKeyGCUUBCMHUWDIHJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]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-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
2-[2-[(4-propan-2-ylphenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181090
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181081
3-[(3,4-dichlorophenyl)methylsulfanyl]propanenitrile
CID 82181449
3-[(3-chloro-4-methylphenyl)methylsulfanyl]propan-1-amine
CID 142935902
[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
CID 102669087
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924
(2S)-3-[(3,4-dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049217
4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
methyl 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethylsulfamoylmethyl]benzoate
CID 38012048
4-[(3,4-dichlorophenyl)methylsulfanyl]-3,5-difluoroaniline
CID 63462164
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
CID 5060586

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine (CID 82181088) is 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine is NCCOCCSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine?
The InChIKey is GCUUBCMHUWDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine?
2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine has a molecular weight of 280.22 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine is sourced from PubChem (CID 82181088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).