4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine

C14H14Cl2N2O — CID 63671293

IUPAC4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C14H14Cl2N2O/c1-2-19-14-8-10(4-6-13(14)17)18-9-3-5-11(15)12(16)7-9/h3-8,18H,2,17H2,1H3
InChIKeyCYXGQEYGILWHMC-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.72
Rot. Bonds4

About 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine

4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 63671293) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
PubChem CID63671293
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C14H14Cl2N2O/c1-2-19-14-8-10(4-6-13(14)17)18-9-3-5-11(15)12(16)7-9/h3-8,18H,2,17H2,1H3
InChIKeyCYXGQEYGILWHMC-UHFFFAOYSA-N
XLogP4.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-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

4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine (CID 63671293) is 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1N.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is CYXGQEYGILWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-19-14-8-10(4-6-13(14)17)18-9-3-5-11(15)12(16)7-9/h3-8,18H,2,17H2,1H3.
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine?
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 63671293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).