2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

Name: 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂N₂O — CID 62473668

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

SMILESCOCc1ccccc1NCc1cc(C)n(C)c1C

InChIInChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3

InChIKeyVTRTUTARYUDYOT-UHFFFAOYSA-N

MW258.36 g/mol

LogP3.40

Rot. Bonds5

About 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62473668) has the molecular formula C₁₆H₂₂N₂O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name	2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID	62473668
Molecular Formula	C₁₆H₂₂N₂O
Molecular Weight	258.36 g/mol
Exact Mass	258.17
IUPAC Name	2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILES	COCc1ccccc1NCc1cc(C)n(C)c1C
InChI	InChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3
InChIKey	VTRTUTARYUDYOT-UHFFFAOYSA-N
XLogP	3.40
TPSA	26.19 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.36
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?

The IUPAC name of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62473668) is 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

What is the SMILES notation for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?

The canonical SMILES for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is COCc1ccccc1NCc1cc(C)n(C)c1C.

What is the InChIKey of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?

The InChIKey is VTRTUTARYUDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3.

What are the key properties of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?

2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 258.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62473668 — identifiers, structure, computed properties (public domain)

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