3-(methoxymethyl)aniline

C8H11NO — CID 13042032

IUPAC3-(methoxymethyl)aniline
SMILESCOCc1cccc(N)c1
InChIInChI=1S/C8H11NO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChIKeyIRMGVBTVFRYBGN-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.42
Rot. Bonds2

About 3-(methoxymethyl)aniline

3-(methoxymethyl)aniline (PubChem CID 13042032) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)aniline
PubChem CID13042032
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(methoxymethyl)aniline
SMILESCOCc1cccc(N)c1
InChIInChI=1S/C8H11NO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChIKeyIRMGVBTVFRYBGN-UHFFFAOYSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)aniline?
The IUPAC name of 3-(methoxymethyl)aniline (CID 13042032) is 3-(methoxymethyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)aniline?
The canonical SMILES for 3-(methoxymethyl)aniline is COCc1cccc(N)c1.
What is the InChIKey of 3-(methoxymethyl)aniline?
The InChIKey is IRMGVBTVFRYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3.
What are the key properties of 3-(methoxymethyl)aniline?
3-(methoxymethyl)aniline has a molecular weight of 137.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)aniline is sourced from PubChem (CID 13042032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).