N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine

C13H22N2O — CID 115195883

IUPACN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1c(C)cc(C)cc1OC
InChIInChI=1S/C13H22N2O/c1-10-7-11(2)12(13(8-10)16-4)9-15-6-5-14-3/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyGMVODBQGXRQDRY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.62
Rot. Bonds6

About N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine

N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 115195883) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID115195883
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1c(C)cc(C)cc1OC
InChIInChI=1S/C13H22N2O/c1-10-7-11(2)12(13(8-10)16-4)9-15-6-5-14-3/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyGMVODBQGXRQDRY-UHFFFAOYSA-N
XLogP1.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195974
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine (CID 115195883) is N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine is CNCCNCc1c(C)cc(C)cc1OC.
What is the InChIKey of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is GMVODBQGXRQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-7-11(2)12(13(8-10)16-4)9-15-6-5-14-3/h7-8,14-15H,5-6,9H2,1-4H3.
What are the key properties of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine?
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115195883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).