2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol

C15H21N3O — CID 135097925

IUPAC2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
SMILESCC(CN(CCO)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(14-5-3-2-4-6-14)11-18(9-10-19)12-15-16-7-8-17-15/h2-8,13,19H,9-12H2,1H3,(H,16,17)
InChIKeyBOHXDMOWQMWQDC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.01
Rot. Bonds7

About 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol

2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol (PubChem CID 135097925) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
PubChem CID135097925
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
SMILESCC(CN(CCO)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(14-5-3-2-4-6-14)11-18(9-10-19)12-15-16-7-8-17-15/h2-8,13,19H,9-12H2,1H3,(H,16,17)
InChIKeyBOHXDMOWQMWQDC-UHFFFAOYSA-N
XLogP2.01
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol?
The IUPAC name of 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol (CID 135097925) is 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol.
What is the SMILES notation for 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol?
The canonical SMILES for 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol is CC(CN(CCO)Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol?
The InChIKey is BOHXDMOWQMWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(14-5-3-2-4-6-14)11-18(9-10-19)12-15-16-7-8-17-15/h2-8,13,19H,9-12H2,1H3,(H,16,17).
What are the key properties of 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol?
2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol is sourced from PubChem (CID 135097925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).