5-methoxy-2-(methoxymethyl)aniline

C9H13NO2 — CID 10511285

IUPAC5-methoxy-2-(methoxymethyl)aniline
SMILESCOCc1ccc(OC)cc1N
InChIInChI=1S/C9H13NO2/c1-11-6-7-3-4-8(12-2)5-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyARCOFQPUKRTCSJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.42
Rot. Bonds3

About 5-methoxy-2-(methoxymethyl)aniline

5-methoxy-2-(methoxymethyl)aniline (PubChem CID 10511285) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methoxy-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(methoxymethyl)aniline
PubChem CID10511285
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-methoxy-2-(methoxymethyl)aniline
SMILESCOCc1ccc(OC)cc1N
InChIInChI=1S/C9H13NO2/c1-11-6-7-3-4-8(12-2)5-9(7)10/h3-5H,6,10H2,1-2H3
InChIKeyARCOFQPUKRTCSJ-UHFFFAOYSA-N
XLogP1.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.42
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 5-methoxy-2-(methoxymethyl)aniline?
The IUPAC name of 5-methoxy-2-(methoxymethyl)aniline (CID 10511285) is 5-methoxy-2-(methoxymethyl)aniline.
What is the SMILES notation for 5-methoxy-2-(methoxymethyl)aniline?
The canonical SMILES for 5-methoxy-2-(methoxymethyl)aniline is COCc1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-(methoxymethyl)aniline?
The InChIKey is ARCOFQPUKRTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-6-7-3-4-8(12-2)5-9(7)10/h3-5H,6,10H2,1-2H3.
What are the key properties of 5-methoxy-2-(methoxymethyl)aniline?
5-methoxy-2-(methoxymethyl)aniline has a molecular weight of 167.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methoxymethyl)aniline is sourced from PubChem (CID 10511285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).