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CAS 100368-98-7 3-ethyl-2-phenylMorpholine molecular structure lightbox
CAS RN: 100368-98-7

3-ethyl-2-phenylMorpholine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS100368-98-7
  • Purity/Analytical Methods: >99.0%
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100368-98-7 / 3-ethyl-2-phenylmorpholine

3-ethyl-2-phenylmorpholine | Phenetrazine | Morpholine, 3-ethyl-2-phenyl-

Standard CAS: 100368-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100368-98-7
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
CCC1C(OCCN1)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-2-11-12(14-9-8-13-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKey
DOMAVIHZFHQQHF-UHFFFAOYSA-N
Synonyms
3-ethyl-2-phenylmorpholine Phenetrazine Morpholine, 3-ethyl-2-phenyl- RT2R95YBRR 2-Phenyl-3-ethylmorpholine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.22
TPSA
21.26

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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