4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol

C14H19N3O — CID 61214125

IUPAC4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1nccn1C)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-11(12-3-5-13(18)6-4-12)15-8-7-14-16-9-10-17(14)2/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyWFWGNRUKBFOPPM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.02
Rot. Bonds5

About 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol

4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol (PubChem CID 61214125) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
PubChem CID61214125
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1nccn1C)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-11(12-3-5-13(18)6-4-12)15-8-7-14-16-9-10-17(14)2/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyWFWGNRUKBFOPPM-UHFFFAOYSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61212599
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
1-(2,5-dichlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214271
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol (CID 61214125) is 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol is CC(NCCc1nccn1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol?
The InChIKey is WFWGNRUKBFOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(12-3-5-13(18)6-4-12)15-8-7-14-16-9-10-17(14)2/h3-6,9-11,15,18H,7-8H2,1-2H3.
What are the key properties of 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol?
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 61214125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).