2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol

C14H19N3O2 — CID 63237468

IUPAC2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2nccn2C)c1O
InChIInChI=1S/C14H19N3O2/c1-3-19-12-6-4-5-11(14(12)18)9-15-10-13-16-7-8-17(13)2/h4-8,15,18H,3,9-10H2,1-2H3
InChIKeyJSLQWFSUBWBADA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.81
Rot. Bonds6

About 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol

2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol (PubChem CID 63237468) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
PubChem CID63237468
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2nccn2C)c1O
InChIInChI=1S/C14H19N3O2/c1-3-19-12-6-4-5-11(14(12)18)9-15-10-13-16-7-8-17(13)2/h4-8,15,18H,3,9-10H2,1-2H3
InChIKeyJSLQWFSUBWBADA-UHFFFAOYSA-N
XLogP1.81
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol (CID 63237468) is 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol is CCOc1cccc(CNCc2nccn2C)c1O.
What is the InChIKey of 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The InChIKey is JSLQWFSUBWBADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-12-6-4-5-11(14(12)18)9-15-10-13-16-7-8-17(13)2/h4-8,15,18H,3,9-10H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 63237468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).