4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine

C11H18N2O — CID 130542259

IUPAC4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
SMILESCCN(C)c1cc(OC)c(N)cc1C
InChIInChI=1S/C11H18N2O/c1-5-13(3)10-7-11(14-4)9(12)6-8(10)2/h6-7H,5,12H2,1-4H3
InChIKeyIQMIQACJGMIJMV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.04
Rot. Bonds3

About 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine

4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine (PubChem CID 130542259) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
PubChem CID130542259
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
SMILESCCN(C)c1cc(OC)c(N)cc1C
InChIInChI=1S/C11H18N2O/c1-5-13(3)10-7-11(14-4)9(12)6-8(10)2/h6-7H,5,12H2,1-4H3
InChIKeyIQMIQACJGMIJMV-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
CID 115259380
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674
2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
CID 130552429
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N-ethyl-2-methoxy-N,4-dimethylaniline
CID 90305517
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine (CID 130542259) is 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine is CCN(C)c1cc(OC)c(N)cc1C.
What is the InChIKey of 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine?
The InChIKey is IQMIQACJGMIJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-13(3)10-7-11(14-4)9(12)6-8(10)2/h6-7H,5,12H2,1-4H3.
What are the key properties of 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine?
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 130542259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).