(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C19H27N3O2 — CID 129473318

IUPAC(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCOC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H](c2cncn2C)C1
InChIInChI=1S/C19H27N3O2/c1-22-14-20-12-18(22)19-11-16(8-9-24-19)21-17(13-23-2)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyFWRGLBGBEJYBND-JENIJYKNSA-N
MW329.44 g/mol
LogP2.49
Rot. Bonds7

About (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine

(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 129473318) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID129473318
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCOC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H](c2cncn2C)C1
InChIInChI=1S/C19H27N3O2/c1-22-14-20-12-18(22)19-11-16(8-9-24-19)21-17(13-23-2)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyFWRGLBGBEJYBND-JENIJYKNSA-N
XLogP2.49
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 129473318) is (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is COC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H](c2cncn2C)C1.
What is the InChIKey of (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is FWRGLBGBEJYBND-JENIJYKNSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22-14-20-12-18(22)19-11-16(8-9-24-19)21-17(13-23-2)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3/t16-,17-,19+/m0/s1.
What are the key properties of (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 329.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 129473318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).