2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol

C13H17N3O — CID 111118678

IUPAC2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNCc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c1-10-4-2-3-5-11(10)12(17)8-14-9-13-15-6-7-16-13/h2-7,12,14,17H,8-9H2,1H3,(H,15,16)
InChIKeyKLJSVNCBXICCMA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.54
Rot. Bonds5

About 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol

2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol (PubChem CID 111118678) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
PubChem CID111118678
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNCc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c1-10-4-2-3-5-11(10)12(17)8-14-9-13-15-6-7-16-13/h2-7,12,14,17H,8-9H2,1H3,(H,15,16)
InChIKeyKLJSVNCBXICCMA-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
CID 111449052
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
1-(2-chlorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 22324903
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
CID 111118599
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol (CID 111118678) is 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CNCc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol?
The InChIKey is KLJSVNCBXICCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-2-3-5-11(10)12(17)8-14-9-13-15-6-7-16-13/h2-7,12,14,17H,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol?
2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 111118678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).