N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine

C12H20N2 — CID 116954358

IUPACN,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
SMILESCNC(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H20N2/c1-8-6-10(3)11(7-9(8)2)12(13-4)14-5/h6-7,12-14H,1-5H3
InChIKeyYEUDVGDRWYKOBR-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.05
Rot. Bonds3

About N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine

N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine (PubChem CID 116954358) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
PubChem CID116954358
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
SMILESCNC(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H20N2/c1-8-6-10(3)11(7-9(8)2)12(13-4)14-5/h6-7,12-14H,1-5H3
InChIKeyYEUDVGDRWYKOBR-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389
2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 79492540
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
(2,4,5-trimethylphenyl)methanedithiol
CID 22750463
N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
CID 116950342
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine?
The IUPAC name of N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine (CID 116954358) is N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine is CNC(NC)c1cc(C)c(C)cc1C.
What is the InChIKey of N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine?
The InChIKey is YEUDVGDRWYKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-6-10(3)11(7-9(8)2)12(13-4)14-5/h6-7,12-14H,1-5H3.
What are the key properties of N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine?
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine has a molecular weight of 192.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine is sourced from PubChem (CID 116954358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).