4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine

C13H22N2O — CID 63670004

IUPAC4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(NCC(C)(C)C)ccc1N
InChIInChI=1S/C13H22N2O/c1-5-16-12-8-10(6-7-11(12)14)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyWYUFTEIGTONMCM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds4

About 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine

4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 63670004) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
PubChem CID63670004
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(NCC(C)(C)C)ccc1N
InChIInChI=1S/C13H22N2O/c1-5-16-12-8-10(6-7-11(12)14)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyWYUFTEIGTONMCM-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
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

1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
CID 114107388
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine (CID 63670004) is 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(NCC(C)(C)C)ccc1N.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is WYUFTEIGTONMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-16-12-8-10(6-7-11(12)14)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine?
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 63670004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).