N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine

C13H22N2O2 — CID 115197692

IUPACN'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H22N2O2/c1-10-8-13(17-4)11(9-12(10)16-3)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyKUOKVWSLUCHSNP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.03
Rot. Bonds7

About N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine

N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine (PubChem CID 115197692) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
PubChem CID115197692
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H22N2O2/c1-10-8-13(17-4)11(9-12(10)16-3)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyKUOKVWSLUCHSNP-UHFFFAOYSA-N
XLogP2.03
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine 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-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115197735
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
(2,5-dimethoxy-4-methylanilino)methanethiol
CID 115227630
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine (CID 115197692) is N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine is CNCCCNc1cc(OC)c(C)cc1OC.
What is the InChIKey of N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine?
The InChIKey is KUOKVWSLUCHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-8-13(17-4)11(9-12(10)16-3)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3.
What are the key properties of N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine?
N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115197692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).