4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine

C15H26N2O — CID 63677519

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2O/c1-7-18-14-10-12(8-9-13(14)16)17(6)11(2)15(3,4)5/h8-11H,7,16H2,1-6H3
InChIKeyUBGJUPMKDQTKRN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds4

About 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine (PubChem CID 63677519) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
PubChem CID63677519
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2O/c1-7-18-14-10-12(8-9-13(14)16)17(6)11(2)15(3,4)5/h8-11H,7,16H2,1-6H3
InChIKeyUBGJUPMKDQTKRN-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677772
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethoxyaniline
CID 55007073
3-N-(3,3-dimethylbutan-2-yl)-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80739495
4-[4-amino-N-(3,4-dihydroxybutyl)-3-ethoxyanilino]butane-1,2-diol
CID 59090244
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
CID 62129455

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine (CID 63677519) is 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine is CCOc1cc(N(C)C(C)C(C)(C)C)ccc1N.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The InChIKey is UBGJUPMKDQTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-18-14-10-12(8-9-13(14)16)17(6)11(2)15(3,4)5/h8-11H,7,16H2,1-6H3.
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 63677519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).