1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

C13H17Cl2NS — CID 106425193

IUPAC1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NS/c1-3-7-17-8-6-16-10(2)12-5-4-11(14)9-13(12)15/h3-5,9-10,16H,1,6-8H2,2H3
InChIKeyDFZXBEBTRPASJS-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.56
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 106425193) has the molecular formula C13H17Cl2NS and a molecular weight of 290.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID106425193
Molecular FormulaC13H17Cl2NS
Molecular Weight290.26 g/mol
Exact Mass289.05
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NS/c1-3-7-17-8-6-16-10(2)12-5-4-11(14)9-13(12)15/h3-5,9-10,16H,1,6-8H2,2H3
InChIKeyDFZXBEBTRPASJS-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)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

1-(4-chlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889012
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661
N-(2-prop-2-enylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 115889029
N-[1-(2,4-dichlorophenyl)ethyl]pent-3-yn-1-amine
CID 104756778
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]butanenitrile
CID 28579571
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
CID 115889063
1-(3-bromophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115667995
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 106425193) is 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is DFZXBEBTRPASJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NS/c1-3-7-17-8-6-16-10(2)12-5-4-11(14)9-13(12)15/h3-5,9-10,16H,1,6-8H2,2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 290.26 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 106425193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).