4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine

C17H22N2O2 — CID 43436266

IUPAC4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCCOc1ccc(OCC)c(Nc2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-4-20-14-7-9-17(21-5-2)16(11-14)19-13-6-8-15(18)12(3)10-13/h6-11,19H,4-5,18H2,1-3H3
InChIKeyYFSFCFYDMLGJBE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine

4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436266) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436266
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCCOc1ccc(OCC)c(Nc2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-4-20-14-7-9-17(21-5-2)16(11-14)19-13-6-8-15(18)12(3)10-13/h6-11,19H,4-5,18H2,1-3H3
InChIKeyYFSFCFYDMLGJBE-UHFFFAOYSA-N
XLogP4.12
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-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

(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
CID 61146119
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine (CID 43436266) is 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine is CCOc1ccc(OCC)c(Nc2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is YFSFCFYDMLGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-20-14-7-9-17(21-5-2)16(11-14)19-13-6-8-15(18)12(3)10-13/h6-11,19H,4-5,18H2,1-3H3.
What are the key properties of 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine?
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).