2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol

C16H23N3O — CID 109380397

IUPAC2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(CO)NCc2nccn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-13-5-7-14(8-6-13)15(12-20)18-11-16-17-9-10-19(16)4-2/h5-10,15,18,20H,3-4,11-12H2,1-2H3
InChIKeyLATWPRJLKDDNEV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol

2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol (PubChem CID 109380397) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
PubChem CID109380397
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(CO)NCc2nccn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-13-5-7-14(8-6-13)15(12-20)18-11-16-17-9-10-19(16)4-2/h5-10,15,18,20H,3-4,11-12H2,1-2H3
InChIKeyLATWPRJLKDDNEV-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 75501649
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
CID 62735689
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol (CID 109380397) is 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol is CCc1ccc(C(CO)NCc2nccn2CC)cc1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The InChIKey is LATWPRJLKDDNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-13-5-7-14(8-6-13)15(12-20)18-11-16-17-9-10-19(16)4-2/h5-10,15,18,20H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol?
2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol has a molecular weight of 273.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 109380397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).