4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine

C18H24N2O — CID 63670946

IUPAC4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C18H24N2O/c1-5-21-17-12-15(10-11-16(17)19)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5,19H2,1-4H3
InChIKeyOHYSRAQIDPXCCS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.71
Rot. Bonds4

About 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine

4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 63670946) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
PubChem CID63670946
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C18H24N2O/c1-5-21-17-12-15(10-11-16(17)19)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5,19H2,1-4H3
InChIKeyOHYSRAQIDPXCCS-UHFFFAOYSA-N
XLogP4.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.71
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
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine (CID 63670946) is 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is OHYSRAQIDPXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-21-17-12-15(10-11-16(17)19)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5,19H2,1-4H3.
What are the key properties of 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine?
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 63670946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).