2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine

C16H28N2O — CID 63670487

IUPAC2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
SMILESCCOc1cc(N(CC(C)C)CC(C)C)ccc1N
InChIInChI=1S/C16H28N2O/c1-6-19-16-9-14(7-8-15(16)17)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeyGXORGWXDILXYMF-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.79
Rot. Bonds7

About 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine

2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine (PubChem CID 63670487) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
PubChem CID63670487
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
SMILESCCOc1cc(N(CC(C)C)CC(C)C)ccc1N
InChIInChI=1S/C16H28N2O/c1-6-19-16-9-14(7-8-15(16)17)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeyGXORGWXDILXYMF-UHFFFAOYSA-N
XLogP3.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
4-[4-amino-N-(3,4-dihydroxybutyl)-3-ethoxyanilino]butane-1,2-diol
CID 59090244
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
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-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine (CID 63670487) is 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine is CCOc1cc(N(CC(C)C)CC(C)C)ccc1N.
What is the InChIKey of 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine?
The InChIKey is GXORGWXDILXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-16-9-14(7-8-15(16)17)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3.
What are the key properties of 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine?
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 63670487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).