(3S)-4-benzyl-3-ethylmorpholine

C13H19NO — CID 54501252

IUPAC(3S)-4-benzyl-3-ethylmorpholine
SMILESCC[C@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-13-11-15-9-8-14(13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyYCORPOVSMZYFCG-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

About (3S)-4-benzyl-3-ethylmorpholine

(3S)-4-benzyl-3-ethylmorpholine (PubChem CID 54501252) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S)-4-benzyl-3-ethylmorpholine.

Molecular Properties

Compound Name(3S)-4-benzyl-3-ethylmorpholine
PubChem CID54501252
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S)-4-benzyl-3-ethylmorpholine
SMILESCC[C@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-13-11-15-9-8-14(13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyYCORPOVSMZYFCG-ZDUSSCGKSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-4-benzyl-3-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-ethylmorpholine?
The IUPAC name of (3S)-4-benzyl-3-ethylmorpholine (CID 54501252) is (3S)-4-benzyl-3-ethylmorpholine.
What is the SMILES notation for (3S)-4-benzyl-3-ethylmorpholine?
The canonical SMILES for (3S)-4-benzyl-3-ethylmorpholine is CC[C@H]1COCCN1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-3-ethylmorpholine?
The InChIKey is YCORPOVSMZYFCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13-11-15-9-8-14(13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-4-benzyl-3-ethylmorpholine?
(3S)-4-benzyl-3-ethylmorpholine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-ethylmorpholine is sourced from PubChem (CID 54501252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).