4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine

C16H20N2O — CID 55232144

IUPAC4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cc(C)cc(C)c2)ccc1N
InChIInChI=1S/C16H20N2O/c1-4-19-16-10-13(5-6-15(16)17)18-14-8-11(2)7-12(3)9-14/h5-10,18H,4,17H2,1-3H3
InChIKeyREWVXNXOVZRJNN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.03
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine

4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 55232144) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
PubChem CID55232144
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cc(C)cc(C)c2)ccc1N
InChIInChI=1S/C16H20N2O/c1-4-19-16-10-13(5-6-15(16)17)18-14-8-11(2)7-12(3)9-14/h5-10,18H,4,17H2,1-3H3
InChIKeyREWVXNXOVZRJNN-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.03
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

2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
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-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
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-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
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-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine (CID 55232144) is 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2cc(C)cc(C)c2)ccc1N.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is REWVXNXOVZRJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-19-16-10-13(5-6-15(16)17)18-14-8-11(2)7-12(3)9-14/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine?
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 55232144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).