N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine

C12H20N2O3 — CID 115226740

IUPACN,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
SMILESCNCN(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H20N2O3/c1-13-8-14(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7,13H,8H2,1-5H3
InChIKeyLLXOVZVCMIMKPI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.33
Rot. Bonds6

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

N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine (PubChem CID 115226740) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
PubChem CID115226740
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
SMILESCNCN(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H20N2O3/c1-13-8-14(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7,13H,8H2,1-5H3
InChIKeyLLXOVZVCMIMKPI-UHFFFAOYSA-N
XLogP1.33
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 115226674
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
1-cyano-N-methyl-N-(2,4,5-trimethoxyphenyl)formamide
CID 115172074

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine?
The IUPAC name of N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine (CID 115226740) is N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine is CNCN(C)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine?
The InChIKey is LLXOVZVCMIMKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-8-14(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7,13H,8H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine?
N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine has a molecular weight of 240.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine is sourced from PubChem (CID 115226740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).