N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine

C14H24N2O — CID 116950363

IUPACN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-6-16-9-12(15-4)14-11(3)7-10(2)8-13(14)17-5/h7-8,12,15-16H,6,9H2,1-5H3
InChIKeyZJRQSNCJZUDIBQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.18
Rot. Bonds6

About N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine

N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 116950363) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID116950363
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-6-16-9-12(15-4)14-11(3)7-10(2)8-13(14)17-5/h7-8,12,15-16H,6,9H2,1-5H3
InChIKeyZJRQSNCJZUDIBQ-UHFFFAOYSA-N
XLogP2.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
CID 116950342
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 106680429

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine (CID 116950363) is N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine is CCNCC(NC)c1c(C)cc(C)cc1OC.
What is the InChIKey of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is ZJRQSNCJZUDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-16-9-12(15-4)14-11(3)7-10(2)8-13(14)17-5/h7-8,12,15-16H,6,9H2,1-5H3.
What are the key properties of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).