2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol

C12H15N3O — CID 15900654

IUPAC2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol
SMILESOc1ccccc1CNCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O/c16-12-4-2-1-3-10(12)7-13-6-5-11-8-14-9-15-11/h1-4,8-9,13,16H,5-7H2,(H,14,15)
InChIKeyOWMCODAXNFNLCU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds5

About 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol

2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol (PubChem CID 15900654) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol
PubChem CID15900654
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol
SMILESOc1ccccc1CNCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O/c16-12-4-2-1-3-10(12)7-13-6-5-11-8-14-9-15-11/h1-4,8-9,13,16H,5-7H2,(H,14,15)
InChIKeyOWMCODAXNFNLCU-UHFFFAOYSA-N
XLogP1.45
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol (CID 15900654) is 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol is Oc1ccccc1CNCCc1cnc[nH]1.
What is the InChIKey of 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol?
The InChIKey is OWMCODAXNFNLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-4-2-1-3-10(12)7-13-6-5-11-8-14-9-15-11/h1-4,8-9,13,16H,5-7H2,(H,14,15).
What are the key properties of 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol?
2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 15900654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).