4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline

C12H19NO3 — CID 83008446

IUPAC4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
SMILESCOc1cc(N)c(OC(C)(C)C)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-9-7-11(15-5)10(14-4)6-8(9)13/h6-7H,13H2,1-5H3
InChIKeyFJWXRQLTUHMDHF-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.46
Rot. Bonds3

About 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline

4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline (PubChem CID 83008446) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
PubChem CID83008446
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
SMILESCOc1cc(N)c(OC(C)(C)C)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-9-7-11(15-5)10(14-4)6-8(9)13/h6-7H,13H2,1-5H3
InChIKeyFJWXRQLTUHMDHF-UHFFFAOYSA-N
XLogP2.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline?
The IUPAC name of 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline (CID 83008446) is 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline?
The canonical SMILES for 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline is COc1cc(N)c(OC(C)(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline?
The InChIKey is FJWXRQLTUHMDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-9-7-11(15-5)10(14-4)6-8(9)13/h6-7H,13H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline?
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline has a molecular weight of 225.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline is sourced from PubChem (CID 83008446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).