CAS RN: 66046-64-8
N-Methyl-2-(phenylMethoxy)-ethanaMine HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS66046-64-8
- Purity/Analytical Methods: >99.0%
66046-64-8 / N-methyl-2-phenylmethoxyethanamine;hydrochloride
Basic Information
CAS
66046-64-8
Multi CAS
No
Molecular Formula
C10H16CLNO
Molecular Weight
201.690000
Exact Mass
201.092042
InChI
InChI=1S/C10H15NO.ClH/c1-11-7-8-12-9-10-5-3-2-4-6-10;/h2-6,11H,7-9H2,1H3;1H
InChIKey
VXRXNNADZPHTEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.27
TPSA
21.26
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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