5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline

Name: 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇BrN₂ — CID 66410961

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

IUPAC5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline

SMILESCCn1cccc1CNc1cc(Br)ccc1C

InChIInChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3

InChIKeyJHGYEZXXZNVHFE-UHFFFAOYSA-N

MW293.21 g/mol

LogP4.19

Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline

5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline (PubChem CID 66410961) has the molecular formula C₁₄H₁₇BrN₂ and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name	5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
PubChem CID	66410961
Molecular Formula	C₁₄H₁₇BrN₂
Molecular Weight	293.21 g/mol
Exact Mass	292.06
IUPAC Name	5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
SMILES	CCn1cccc1CNc1cc(Br)ccc1C
InChI	InChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKey	JHGYEZXXZNVHFE-UHFFFAOYSA-N
XLogP	4.19
TPSA	16.96 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.21
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?

The IUPAC name of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline (CID 66410961) is 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline.

What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?

The canonical SMILES for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline is CCn1cccc1CNc1cc(Br)ccc1C.

What is the InChIKey of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?

The InChIKey is JHGYEZXXZNVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3.

What are the key properties of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?

5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline has a molecular weight of 293.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 66410961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66410961 — identifiers, structure, computed properties (public domain)

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