A1CU5

1-[2-(1H-pyrrol-1-yl)phenyl]methanamine

Created:	2025-09-23
Last modified:	2026-02-18

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1 entries where A1CU5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of A1CU5

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Chemical Component Summary
Name	1-[2-(1H-pyrrol-1-yl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	(2-pyrrol-1-ylphenyl)methanamine
Formula	C₁₁ H₁₂ N₂
Molecular Weight	172.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NCc1ccccc1n1cccc1
SMILES	CACTVS	3.385	NCc1ccccc1n2cccc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)CN)n2cccc2
Canonical SMILES	CACTVS	3.385	NCc1ccccc1n2cccc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)CN)n2cccc2
InChI	InChI	1.06	InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2
InChIKey	InChI	1.06	BNDYBXDAGIQWOB-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.