2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol

C15H21N3O — CID 66162781

IUPAC2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
SMILESCC(C)n1cncc1CNC(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)18-11-16-8-14(18)9-17-15(10-19)13-6-4-3-5-7-13/h3-8,11-12,15,17,19H,9-10H2,1-2H3
InChIKeyQRWWNYJOWGHLGI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds6

About 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol

2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol (PubChem CID 66162781) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
PubChem CID66162781
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
SMILESCC(C)n1cncc1CNC(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)18-11-16-8-14(18)9-17-15(10-19)13-6-4-3-5-7-13/h3-8,11-12,15,17,19H,9-10H2,1-2H3
InChIKeyQRWWNYJOWGHLGI-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164837
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol (CID 66162781) is 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol is CC(C)n1cncc1CNC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol?
The InChIKey is QRWWNYJOWGHLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)18-11-16-8-14(18)9-17-15(10-19)13-6-4-3-5-7-13/h3-8,11-12,15,17,19H,9-10H2,1-2H3.
What are the key properties of 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol?
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 66162781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).