2-(trimethoxymethyl)aniline

C10H15NO3 — CID 597234

IUPAC2-(trimethoxymethyl)aniline
SMILESCOC(OC)(OC)c1ccccc1N
InChIInChI=1S/C10H15NO3/c1-12-10(13-2,14-3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKeyBTBVXWDXIJJXBQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.32
Rot. Bonds4

About 2-(trimethoxymethyl)aniline

2-(trimethoxymethyl)aniline (PubChem CID 597234) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(trimethoxymethyl)aniline.

Molecular Properties

Compound Name2-(trimethoxymethyl)aniline
PubChem CID597234
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(trimethoxymethyl)aniline
SMILESCOC(OC)(OC)c1ccccc1N
InChIInChI=1S/C10H15NO3/c1-12-10(13-2,14-3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKeyBTBVXWDXIJJXBQ-UHFFFAOYSA-N
XLogP1.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(trimethoxymethyl)aniline?
The IUPAC name of 2-(trimethoxymethyl)aniline (CID 597234) is 2-(trimethoxymethyl)aniline.
What is the SMILES notation for 2-(trimethoxymethyl)aniline?
The canonical SMILES for 2-(trimethoxymethyl)aniline is COC(OC)(OC)c1ccccc1N.
What is the InChIKey of 2-(trimethoxymethyl)aniline?
The InChIKey is BTBVXWDXIJJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-12-10(13-2,14-3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3.
What are the key properties of 2-(trimethoxymethyl)aniline?
2-(trimethoxymethyl)aniline has a molecular weight of 197.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxymethyl)aniline is sourced from PubChem (CID 597234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).