4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine

C15H17ClN2O — CID 55232941

IUPAC4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cc(Cl)ccc2C)ccc1N
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-9-12(6-7-13(15)17)18-14-8-11(16)5-4-10(14)2/h4-9,18H,3,17H2,1-2H3
InChIKeyVOJDCDVDWHBTEL-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.37
Rot. Bonds4

About 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine

4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 55232941) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
PubChem CID55232941
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cc(Cl)ccc2C)ccc1N
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-9-12(6-7-13(15)17)18-14-8-11(16)5-4-10(14)2/h4-9,18H,3,17H2,1-2H3
InChIKeyVOJDCDVDWHBTEL-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.37
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

4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002794
4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 63671478
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
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-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine (CID 55232941) is 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2cc(Cl)ccc2C)ccc1N.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is VOJDCDVDWHBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-19-15-9-12(6-7-13(15)17)18-14-8-11(16)5-4-10(14)2/h4-9,18H,3,17H2,1-2H3.
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine?
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 55232941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).