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

C15H21N3O — CID 66130986

IUPAC2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
SMILESCCCn1cncc1CNC(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-8-18-12-16-9-14(18)10-17-15(11-19)13-6-4-3-5-7-13/h3-7,9,12,15,17,19H,2,8,10-11H2,1H3
InChIKeyDXXWIRLUMFEEHK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds7

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

2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol (PubChem CID 66130986) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
PubChem CID66130986
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
SMILESCCCn1cncc1CNC(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-8-18-12-16-9-14(18)10-17-15(11-19)13-6-4-3-5-7-13/h3-7,9,12,15,17,19H,2,8,10-11H2,1H3
InChIKeyDXXWIRLUMFEEHK-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66133933
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol (CID 66130986) is 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol is CCCn1cncc1CNC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol?
The InChIKey is DXXWIRLUMFEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-18-12-16-9-14(18)10-17-15(11-19)13-6-4-3-5-7-13/h3-7,9,12,15,17,19H,2,8,10-11H2,1H3.
What are the key properties of 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol?
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 66130986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).