N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine

C11H18N2 — CID 115226596

IUPACN-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
SMILESCNCNc1ccc(C)c(C)c1C
InChIInChI=1S/C11H18N2/c1-8-5-6-11(13-7-12-4)10(3)9(8)2/h5-6,12-13H,7H2,1-4H3
InChIKeyGWBOYUKTDWCCGJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine

N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine (PubChem CID 115226596) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
PubChem CID115226596
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
SMILESCNCNc1ccc(C)c(C)c1C
InChIInChI=1S/C11H18N2/c1-8-5-6-11(13-7-12-4)10(3)9(8)2/h5-6,12-13H,7H2,1-4H3
InChIKeyGWBOYUKTDWCCGJ-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.20
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

2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115222066
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
methyl 2,2-dimethyl-3-(2,3,4-trimethylanilino)propanoate
CID 115233608
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine?
The IUPAC name of N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine (CID 115226596) is N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine?
The canonical SMILES for N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine is CNCNc1ccc(C)c(C)c1C.
What is the InChIKey of N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine?
The InChIKey is GWBOYUKTDWCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-5-6-11(13-7-12-4)10(3)9(8)2/h5-6,12-13H,7H2,1-4H3.
What are the key properties of N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine?
N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine has a molecular weight of 178.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine is sourced from PubChem (CID 115226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).