(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol

C16H23N3O — CID 124757752

IUPAC(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol
SMILESCCc1nccn1CCN(C)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-16-17-9-10-19(16)12-11-18(2)13-15(20)14-7-5-4-6-8-14/h4-10,15,20H,3,11-13H2,1-2H3/t15-/m0/s1
InChIKeyWZROZKVFEFEUJQ-HNNXBMFYSA-N
MW273.38 g/mol
LogP2.11
Rot. Bonds7

About (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol

(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol (PubChem CID 124757752) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol
PubChem CID124757752
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol
SMILESCCc1nccn1CCN(C)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-16-17-9-10-19(16)12-11-18(2)13-15(20)14-7-5-4-6-8-14/h4-10,15,20H,3,11-13H2,1-2H3/t15-/m0/s1
InChIKeyWZROZKVFEFEUJQ-HNNXBMFYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
[1-[2-[benzyl(methyl)amino]ethyl]imidazol-2-yl]methanol
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3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043825
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
CID 100942188
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol (CID 124757752) is (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol is CCc1nccn1CCN(C)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol?
The InChIKey is WZROZKVFEFEUJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16-17-9-10-19(16)12-11-18(2)13-15(20)14-7-5-4-6-8-14/h4-10,15,20H,3,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol?
(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol has a molecular weight of 273.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 124757752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).