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

C13H22N2O — CID 116934935

IUPACN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H22N2O/c1-5-15-8-11(14)13-10(3)6-9(2)7-12(13)16-4/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyDIYIRSKZHHWWLH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds5

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

N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 116934935) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID116934935
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H22N2O/c1-5-15-8-11(14)13-10(3)6-9(2)7-12(13)16-4/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyDIYIRSKZHHWWLH-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-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

1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine (CID 116934935) is N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine is CCNCC(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is DIYIRSKZHHWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-15-8-11(14)13-10(3)6-9(2)7-12(13)16-4/h6-7,11,15H,5,8,14H2,1-4H3.
What are the key properties of N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.92, 5 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)ethane-1,2-diamine is sourced from PubChem (CID 116934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).