A1EE8

[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol

Created:	2024-11-07
Last modified:	2025-08-27

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1 entries where A1EE8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of A1EE8

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Chemical Component Summary
Name	[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol
Synonyms	915707-55-0
Systematic Name (OpenEye OEToolkits)	[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol
Formula	C₁₃ H₂₀ N₂ O
Molecular Weight	220.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCCN(CC1)c2ccccc2CO
SMILES	OpenEye OEToolkits	2.0.7	CN1CCCN(CC1)c2ccccc2CO
Canonical SMILES	CACTVS	3.385	CN1CCCN(CC1)c2ccccc2CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCCN(CC1)c2ccccc2CO
InChI	InChI	1.06	InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3
InChIKey	InChI	1.06	IYBDLMFCIKDQDV-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.