N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine

C15H18N2S — CID 134969852

IUPACN'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine
SMILESCSCN(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2S/c1-18-13-17(15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyOJQHLMGUOVEWIJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.88
Rot. Bonds6

About N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine

N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine (PubChem CID 134969852) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine.

Molecular Properties

Compound NameN'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine
PubChem CID134969852
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine
SMILESCSCN(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2S/c1-18-13-17(15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyOJQHLMGUOVEWIJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
2-(N-[N-[2-[N-(anilinomethyl)anilino]ethyl]anilino]anilino)ethanol
CID 56974022
N'-butan-2-yl-N,N'-diphenylmethanediamine
CID 150607535
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N,N-diethylaniline
CID 7061
N-(anilinomethyl)-N-methylacetamide
CID 102126839
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
1-ethyl-1,2-diphenylhydrazine
CID 12616656
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930
N-(2-methylsulfanylpropyl)aniline
CID 62582287
1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine
CID 175759926
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167

Frequently Asked Questions

What is the IUPAC name of N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine?
The IUPAC name of N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine (CID 134969852) is N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine.
What is the SMILES notation for N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine?
The canonical SMILES for N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine is CSCN(CNc1ccccc1)c1ccccc1.
What is the InChIKey of N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine?
The InChIKey is OJQHLMGUOVEWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-18-13-17(15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3.
What are the key properties of N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine?
N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine has a molecular weight of 258.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine is sourced from PubChem (CID 134969852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).