2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine

C15H18N2O — CID 63669948

IUPAC2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2cccc(C)c2)ccc1N
InChIInChI=1S/C15H18N2O/c1-3-18-15-10-13(7-8-14(15)16)17-12-6-4-5-11(2)9-12/h4-10,17H,3,16H2,1-2H3
InChIKeyKRFKITDAIMUXRR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.72
Rot. Bonds4

About 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine

2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine (PubChem CID 63669948) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
PubChem CID63669948
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2cccc(C)c2)ccc1N
InChIInChI=1S/C15H18N2O/c1-3-18-15-10-13(7-8-14(15)16)17-12-6-4-5-11(2)9-12/h4-10,17H,3,16H2,1-2H3
InChIKeyKRFKITDAIMUXRR-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.72
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-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine (CID 63669948) is 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine is CCOc1cc(Nc2cccc(C)c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine?
The InChIKey is KRFKITDAIMUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-18-15-10-13(7-8-14(15)16)17-12-6-4-5-11(2)9-12/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine?
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 63669948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).