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

C17H22N2O — CID 63671137

IUPAC2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2cccc(C(C)C)c2)ccc1N
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-15(8-9-16(17)18)19-14-7-5-6-13(10-14)12(2)3/h5-12,19H,4,18H2,1-3H3
InChIKeyWWVHZJATQHEIEH-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.53
Rot. Bonds5

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

2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine (PubChem CID 63671137) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
PubChem CID63671137
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2cccc(C(C)C)c2)ccc1N
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-15(8-9-16(17)18)19-14-7-5-6-13(10-14)12(2)3/h5-12,19H,4,18H2,1-3H3
InChIKeyWWVHZJATQHEIEH-UHFFFAOYSA-N
XLogP4.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.53
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-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 65343158

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine (CID 63671137) is 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine is CCOc1cc(Nc2cccc(C(C)C)c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is WWVHZJATQHEIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-20-17-11-15(8-9-16(17)18)19-14-7-5-6-13(10-14)12(2)3/h5-12,19H,4,18H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine?
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.53, 5 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-propan-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 63671137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).