2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol

C15H21N3O — CID 135120617

IUPAC2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
SMILESCn1cncc1CN(CCO)CCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-13-16-11-15(17)12-18(9-10-19)8-7-14-5-3-2-4-6-14/h2-6,11,13,19H,7-10,12H2,1H3
InChIKeyCYSRZLFVJOSFOC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.46
Rot. Bonds7

About 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol

2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol (PubChem CID 135120617) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
PubChem CID135120617
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
SMILESCn1cncc1CN(CCO)CCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-13-16-11-15(17)12-18(9-10-19)8-7-14-5-3-2-4-6-14/h2-6,11,13,19H,7-10,12H2,1H3
InChIKeyCYSRZLFVJOSFOC-UHFFFAOYSA-N
XLogP1.46
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol (CID 135120617) is 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol is Cn1cncc1CN(CCO)CCc1ccccc1.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol?
The InChIKey is CYSRZLFVJOSFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-13-16-11-15(17)12-18(9-10-19)8-7-14-5-3-2-4-6-14/h2-6,11,13,19H,7-10,12H2,1H3.
What are the key properties of 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol?
2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 135120617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).