N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C17H20Cl2N2S — CID 10689530

IUPACN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2S/c1-21(2)10-9-20-12-13-5-3-4-6-16(13)22-17-8-7-14(18)11-15(17)19/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyWWCPIKRZJNNLIN-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.80
Rot. Bonds7

About N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 10689530) has the molecular formula C17H20Cl2N2S and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID10689530
Molecular FormulaC17H20Cl2N2S
Molecular Weight355.33 g/mol
Exact Mass354.07
IUPAC NameN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2S/c1-21(2)10-9-20-12-13-5-3-4-6-16(13)22-17-8-7-14(18)11-15(17)19/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyWWCPIKRZJNNLIN-UHFFFAOYSA-N
XLogP4.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanamine, 2-[(4-chlorophenyl)thio]-N,N-dimethyl-
CID 15132120
N-{2-[(2,4-dichlorophenyl)sulfanyl]-4-fluorobenzyl}-N,N-dimethylamine
CID 15945686
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 137640861
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 137646784
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N'-methylethane-1,2-diamine
CID 137655207
1-(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CID 215028
Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
CID 44132
Dibenzo(b,f)thiepin-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride
CID 44134
Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3071801
1-[(9S)-6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl]-4-ethylpiperazine-1,4-diium
CID 6959533
N1-(2-(2-Chlorophenylthio)benzyl)-N2,N2-dimethylethane-1,2-diamine
CID 45925947
N',N'-dimethyl-N-[(2-phenylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 137631597

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 10689530) is N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccccc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WWCPIKRZJNNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2S/c1-21(2)10-9-20-12-13-5-3-4-6-16(13)22-17-8-7-14(18)11-15(17)19/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 355.33 g/mol, XLogP of 4.80, 7 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)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10689530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).