2,5-dimethoxyaniline

C8H11NO2 — CID 7613

IUPAC2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(N)c1
InChIInChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKeyNAZDVUBIEPVUKE-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.29
Rot. Bonds2

About 2,5-dimethoxyaniline

2,5-dimethoxyaniline (PubChem CID 7613) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,5-dimethoxyaniline.

Molecular Properties

Compound Name2,5-dimethoxyaniline
PubChem CID7613
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(N)c1
InChIInChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKeyNAZDVUBIEPVUKE-UHFFFAOYSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyaniline?
The IUPAC name of 2,5-dimethoxyaniline (CID 7613) is 2,5-dimethoxyaniline.
What is the SMILES notation for 2,5-dimethoxyaniline?
The canonical SMILES for 2,5-dimethoxyaniline is COc1ccc(OC)c(N)c1.
What is the InChIKey of 2,5-dimethoxyaniline?
The InChIKey is NAZDVUBIEPVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3.
What are the key properties of 2,5-dimethoxyaniline?
2,5-dimethoxyaniline has a molecular weight of 153.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyaniline is sourced from PubChem (CID 7613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).