N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine

C13H22N2O3 — CID 115197735

IUPACN-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCCNc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-6-5-7-15-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyUQZQENZMMCSBMD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds8

About N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine

N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine (PubChem CID 115197735) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
PubChem CID115197735
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCCNc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-6-5-7-15-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyUQZQENZMMCSBMD-UHFFFAOYSA-N
XLogP1.73
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197692
1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
CID 115203637
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
2,4-dimethoxy-N-pentylaniline
CID 28570496
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine (CID 115197735) is N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine is CNCCCNc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine?
The InChIKey is UQZQENZMMCSBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-6-5-7-15-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9,14-15H,5-7H2,1-4H3.
What are the key properties of N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine?
N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 115197735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).