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

C19H24Cl2N2S — CID 59066651

IUPACN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNCc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H24Cl2N2S/c1-23(2)12-6-5-11-22-14-15-7-3-4-8-18(15)24-19-10-9-16(20)13-17(19)21/h3-4,7-10,13,22H,5-6,11-12,14H2,1-2H3
InChIKeyNLVHPMSMYCEBOS-UHFFFAOYSA-N
MW383.39 g/mol
LogP5.58
Rot. Bonds9

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

N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine (PubChem CID 59066651) has the molecular formula C19H24Cl2N2S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine
PubChem CID59066651
Molecular FormulaC19H24Cl2N2S
Molecular Weight383.39 g/mol
Exact Mass382.10
IUPAC NameN-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNCc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H24Cl2N2S/c1-23(2)12-6-5-11-22-14-15-7-3-4-8-18(15)24-19-10-9-16(20)13-17(19)21/h3-4,7-10,13,22H,5-6,11-12,14H2,1-2H3
InChIKeyNLVHPMSMYCEBOS-UHFFFAOYSA-N
XLogP5.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine (CID 59066651) is N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNCc1ccccc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is NLVHPMSMYCEBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2S/c1-23(2)12-6-5-11-22-14-15-7-3-4-8-18(15)24-19-10-9-16(20)13-17(19)21/h3-4,7-10,13,22H,5-6,11-12,14H2,1-2H3.
What are the key properties of N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine?
N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 383.39 g/mol, XLogP of 5.58, 9 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'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 59066651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).