4-(methoxymethoxy)aniline

C8H11NO2 — CID 12762727

IUPAC4-(methoxymethoxy)aniline
SMILESCOCOc1ccc(N)cc1
InChIInChI=1S/C8H11NO2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6,9H2,1H3
InChIKeyPMFXZWXKPPPNSW-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.25
Rot. Bonds3

About 4-(methoxymethoxy)aniline

4-(methoxymethoxy)aniline (PubChem CID 12762727) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(methoxymethoxy)aniline.

Molecular Properties

Compound Name4-(methoxymethoxy)aniline
PubChem CID12762727
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(methoxymethoxy)aniline
SMILESCOCOc1ccc(N)cc1
InChIInChI=1S/C8H11NO2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6,9H2,1H3
InChIKeyPMFXZWXKPPPNSW-UHFFFAOYSA-N
XLogP1.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)aniline?
The IUPAC name of 4-(methoxymethoxy)aniline (CID 12762727) is 4-(methoxymethoxy)aniline.
What is the SMILES notation for 4-(methoxymethoxy)aniline?
The canonical SMILES for 4-(methoxymethoxy)aniline is COCOc1ccc(N)cc1.
What is the InChIKey of 4-(methoxymethoxy)aniline?
The InChIKey is PMFXZWXKPPPNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6,9H2,1H3.
What are the key properties of 4-(methoxymethoxy)aniline?
4-(methoxymethoxy)aniline has a molecular weight of 153.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)aniline is sourced from PubChem (CID 12762727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).