1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine

C15H25ClN2S — CID 112664674

IUPAC1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CCSC)c1ccccc1Cl
InChIInChI=1S/C15H25ClN2S/c1-4-17-15(9-10-18(2)11-12-19-3)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyNFYOKTLMRJYLPP-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.68
Rot. Bonds9

About 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine

1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine (PubChem CID 112664674) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
PubChem CID112664674
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CCSC)c1ccccc1Cl
InChIInChI=1S/C15H25ClN2S/c1-4-17-15(9-10-18(2)11-12-19-3)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyNFYOKTLMRJYLPP-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine (CID 112664674) is 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine is CCNC(CCN(C)CCSC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The InChIKey is NFYOKTLMRJYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-4-17-15(9-10-18(2)11-12-19-3)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine has a molecular weight of 300.90 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine is sourced from PubChem (CID 112664674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).