4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine

C13H22N2O2 — CID 22922541

IUPAC4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1ccc(N)c(NC(C)(C)COC)c1
InChIInChI=1S/C13H22N2O2/c1-5-17-10-6-7-11(14)12(8-10)15-13(2,3)9-16-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyRTJNEARTHXXZIV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds6

About 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine

4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine (PubChem CID 22922541) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine
PubChem CID22922541
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1ccc(N)c(NC(C)(C)COC)c1
InChIInChI=1S/C13H22N2O2/c1-5-17-10-6-7-11(14)12(8-10)15-13(2,3)9-16-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyRTJNEARTHXXZIV-UHFFFAOYSA-N
XLogP2.50
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine (CID 22922541) is 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine is CCOc1ccc(N)c(NC(C)(C)COC)c1.
What is the InChIKey of 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is RTJNEARTHXXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-17-10-6-7-11(14)12(8-10)15-13(2,3)9-16-4/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine?
4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 22922541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).