N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine

C13H22N2O — CID 116934913

IUPACN'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-5-15-8-12(14)11-6-7-13(16-4)10(3)9(11)2/h6-7,12,15H,5,8,14H2,1-4H3
InChIKeyANGYXUOFBRSQNO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds5

About N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine

N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine (PubChem CID 116934913) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
PubChem CID116934913
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-5-15-8-12(14)11-6-7-13(16-4)10(3)9(11)2/h6-7,12,15H,5,8,14H2,1-4H3
InChIKeyANGYXUOFBRSQNO-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

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Related Compounds

1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82303036
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine (CID 116934913) is N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine is CCNCC(N)c1ccc(OC)c(C)c1C.
What is the InChIKey of N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is ANGYXUOFBRSQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-15-8-12(14)11-6-7-13(16-4)10(3)9(11)2/h6-7,12,15H,5,8,14H2,1-4H3.
What are the key properties of N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
N'-ethyl-1-(4-methoxy-2,3-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-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116934913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).