2-[(3S)-3-benzylmorpholin-4-yl]ethanol

C13H19NO2 — CID 175622792

IUPAC2-[(3S)-3-benzylmorpholin-4-yl]ethanol
SMILESOCCN1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c15-8-6-14-7-9-16-11-13(14)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2/t13-/m0/s1
InChIKeyINJQDJRUXSSZRY-ZDUSSCGKSA-N
MW221.30 g/mol
LogP0.92
Rot. Bonds4

About 2-[(3S)-3-benzylmorpholin-4-yl]ethanol

2-[(3S)-3-benzylmorpholin-4-yl]ethanol (PubChem CID 175622792) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3S)-3-benzylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-benzylmorpholin-4-yl]ethanol
PubChem CID175622792
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(3S)-3-benzylmorpholin-4-yl]ethanol
SMILESOCCN1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c15-8-6-14-7-9-16-11-13(14)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2/t13-/m0/s1
InChIKeyINJQDJRUXSSZRY-ZDUSSCGKSA-N
XLogP0.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzylmorpholin-4-yl]ethanol?
The IUPAC name of 2-[(3S)-3-benzylmorpholin-4-yl]ethanol (CID 175622792) is 2-[(3S)-3-benzylmorpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-benzylmorpholin-4-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-benzylmorpholin-4-yl]ethanol is OCCN1CCOC[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3S)-3-benzylmorpholin-4-yl]ethanol?
The InChIKey is INJQDJRUXSSZRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-6-14-7-9-16-11-13(14)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-benzylmorpholin-4-yl]ethanol?
2-[(3S)-3-benzylmorpholin-4-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-benzylmorpholin-4-yl]ethanol is sourced from PubChem (CID 175622792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).