N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine

C13H22N2O2 — CID 115227195

IUPACN'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-10-7-12(16-3)13(17-4)8-11(10)5-6-15-9-14-2/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyUHSCADYHAJXULV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.32
Rot. Bonds7

About N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine

N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227195) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
PubChem CID115227195
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-10-7-12(16-3)13(17-4)8-11(10)5-6-15-9-14-2/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyUHSCADYHAJXULV-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
2-[2-(5-chloro-4-methoxy-2-methylphenyl)ethylamino]acetonitrile
CID 115131221
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine (CID 115227195) is N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine is CNCNCCc1cc(OC)c(OC)cc1C.
What is the InChIKey of N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine?
The InChIKey is UHSCADYHAJXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-7-12(16-3)13(17-4)8-11(10)5-6-15-9-14-2/h7-8,14-15H,5-6,9H2,1-4H3.
What are the key properties of N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine?
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine has a molecular weight of 238.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).