[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

C17H23N3O2 — CID 134711284

IUPAC[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCCn1cncc1CN1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-2-19-13-18-10-15(19)11-20-8-9-22-16(12-21)17(20)14-6-4-3-5-7-14/h3-7,10,13,16-17,21H,2,8-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyITLLTXHRZAENIU-IAGOWNOFSA-N
MW301.39 g/mol
LogP1.84
Rot. Bonds5

About [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134711284) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134711284
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCCn1cncc1CN1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-2-19-13-18-10-15(19)11-20-8-9-22-16(12-21)17(20)14-6-4-3-5-7-14/h3-7,10,13,16-17,21H,2,8-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyITLLTXHRZAENIU-IAGOWNOFSA-N
XLogP1.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 5288604
3-Benzyl-8-[(3-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 91800756
Imidazole, 1-(1-phenylethyl)-5-(morpholinomethyl)-
CID 299413
Benzenemethanol, alpha-(((1-methyl-1H-imidazol-4-yl)methoxy)methyl)-
CID 3076605
2-[4-(hydroxymethyl)-1H-imidazol-1-yl]-2-phenylethan-1-ol
CID 24825634
1-Azolyl-4-phenyl-2-butanone, 55
CID 44604574
1-Azolyl-4-phenyl-2-butanone, 62
CID 44604580
(3-Benzyl-2-methylimidazol-4-yl)-(3-methylphenyl)methanol
CID 304295
(3-Benzyl-2-methylimidazol-4-yl)-phenylmethanol
CID 304329
[3-(1-Phenylethyl)imidazol-4-yl]methanol
CID 18670846
(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol
CID 3246549
(1-benzyl-2-methyl-1H-imidazol-5-yl)(4-methylphenyl)methanol
CID 303177

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134711284) is [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is CCn1cncc1CN1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is ITLLTXHRZAENIU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-19-13-18-10-15(19)11-20-8-9-22-16(12-21)17(20)14-6-4-3-5-7-14/h3-7,10,13,16-17,21H,2,8-9,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134711284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).