N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine

C19H25ClN2S — CID 3062348

IUPACN'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCN(C)CCCN(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H25ClN2S/c1-21(2)13-6-14-22(18-7-4-3-5-8-18)15-16-23-19-11-9-17(20)10-12-19/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyVZWGUEZZICZWQJ-UHFFFAOYSA-N
MW348.94 g/mol
LogP4.89
Rot. Bonds9

About N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine

N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine (PubChem CID 3062348) has the molecular formula C19H25ClN2S and a molecular weight of 348.94 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine
PubChem CID3062348
Molecular FormulaC19H25ClN2S
Molecular Weight348.94 g/mol
Exact Mass348.14
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCN(C)CCCN(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H25ClN2S/c1-21(2)13-6-14-22(18-7-4-3-5-8-18)15-16-23-19-11-9-17(20)10-12-19/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyVZWGUEZZICZWQJ-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine (CID 3062348) is N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine is CN(C)CCCN(CCSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine?
The InChIKey is VZWGUEZZICZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2S/c1-21(2)13-6-14-22(18-7-4-3-5-8-18)15-16-23-19-11-9-17(20)10-12-19/h3-5,7-12H,6,13-16H2,1-2H3.
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine?
N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine has a molecular weight of 348.94 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 3062348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).