4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine

C14H14BrClN2O — CID 63670967

IUPAC4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(Br)cc2Cl)ccc1N
InChIInChI=1S/C14H14BrClN2O/c1-2-19-14-8-10(4-5-12(14)17)18-13-6-3-9(15)7-11(13)16/h3-8,18H,2,17H2,1H3
InChIKeyCFFYEDLELZMBIX-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.83
Rot. Bonds4

About 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine

4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 63670967) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
PubChem CID63670967
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(Br)cc2Cl)ccc1N
InChIInChI=1S/C14H14BrClN2O/c1-2-19-14-8-10(4-5-12(14)17)18-13-6-3-9(15)7-11(13)16/h3-8,18H,2,17H2,1H3
InChIKeyCFFYEDLELZMBIX-UHFFFAOYSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-bromo-2-chlorophenyl)-5-ethoxybenzene-1,3-diamine
CID 80722933
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
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
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63593287
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine (CID 63670967) is 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2ccc(Br)cc2Cl)ccc1N.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is CFFYEDLELZMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-19-14-8-10(4-5-12(14)17)18-13-6-3-9(15)7-11(13)16/h3-8,18H,2,17H2,1H3.
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine?
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 341.64 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 63670967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).