3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine

C13H23N3O3 — CID 115119574

IUPAC3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
SMILESCOc1cc(OC)c(N(C)CC(N)CN)c(OC)c1
InChIInChI=1S/C13H23N3O3/c1-16(8-9(15)7-14)13-11(18-3)5-10(17-2)6-12(13)19-4/h5-6,9H,7-8,14-15H2,1-4H3
InChIKeyWICUQKMYPZEFFG-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.43
Rot. Bonds7

About 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine

3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine (PubChem CID 115119574) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
PubChem CID115119574
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
SMILESCOc1cc(OC)c(N(C)CC(N)CN)c(OC)c1
InChIInChI=1S/C13H23N3O3/c1-16(8-9(15)7-14)13-11(18-3)5-10(17-2)6-12(13)19-4/h5-6,9H,7-8,14-15H2,1-4H3
InChIKeyWICUQKMYPZEFFG-UHFFFAOYSA-N
XLogP0.43
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine 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

2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921
3-N-(2-chloro-4-methoxyphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119564
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine?
The IUPAC name of 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine (CID 115119574) is 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine is COc1cc(OC)c(N(C)CC(N)CN)c(OC)c1.
What is the InChIKey of 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine?
The InChIKey is WICUQKMYPZEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16(8-9(15)7-14)13-11(18-3)5-10(17-2)6-12(13)19-4/h5-6,9H,7-8,14-15H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine?
3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine has a molecular weight of 269.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine is sourced from PubChem (CID 115119574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).