N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine

C12H20N2S — CID 115198290

IUPACN'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
SMILESCCSc1ccc(NCC(C)CN)cc1
InChIInChI=1S/C12H20N2S/c1-3-15-12-6-4-11(5-7-12)14-9-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeyNSLBRSKUVNOWIU-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.81
Rot. Bonds6

About N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine

N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine (PubChem CID 115198290) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
PubChem CID115198290
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
SMILESCCSc1ccc(NCC(C)CN)cc1
InChIInChI=1S/C12H20N2S/c1-3-15-12-6-4-11(5-7-12)14-9-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeyNSLBRSKUVNOWIU-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-ethylsulfanylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198540
3-(4-ethylsulfanylanilino)-2-methylpropanoic acid
CID 115219261
N'-(4-ethylsulfanylphenyl)propane-1,3-diamine
CID 98783323
2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 115254807
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 65035671
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
4-(4-ethylsulfanylanilino)butanenitrile
CID 115231467
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43673018
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine (CID 115198290) is N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine is CCSc1ccc(NCC(C)CN)cc1.
What is the InChIKey of N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is NSLBRSKUVNOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-15-12-6-4-11(5-7-12)14-9-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3.
What are the key properties of N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine?
N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).