N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine

C14H24N2O — CID 115205818

IUPACN-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1cc(C)c(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-15-6-7-16-10-13-8-11(2)12(3)9-14(13)17-4/h8-9,15-16H,5-7,10H2,1-4H3
InChIKeyJTGKCADITMUIPY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.01
Rot. Bonds7

About N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine

N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 115205818) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID115205818
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1cc(C)c(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-15-6-7-16-10-13-8-11(2)12(3)9-14(13)17-4/h8-9,15-16H,5-7,10H2,1-4H3
InChIKeyJTGKCADITMUIPY-UHFFFAOYSA-N
XLogP2.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.01
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'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205877
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanethiol
CID 115223946
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
CID 96660011
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine (CID 115205818) is N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine is CCNCCNCc1cc(C)c(C)cc1OC.
What is the InChIKey of N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is JTGKCADITMUIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-6-7-16-10-13-8-11(2)12(3)9-14(13)17-4/h8-9,15-16H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine?
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115205818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).