![CAS 916766-87-5 2-[3-(Dimethylamino)propoxy]benzylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916766-87-5.gif)
CAS RN: 916766-87-5
2-[3-(Dimethylamino)propoxy]benzylamine
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.20250611 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916766-87-5
- Purity/Analytical Methods: >99.0%
916766-87-5 / 3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
Basic Information
CAS
916766-87-5
Multi CAS
No
Molecular Formula
C12H20N2O
Molecular Weight
208.300000
Exact Mass
208.157563
InChI
InChI=1S/C12H20N2O/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13/h3-4,6-7H,5,8-10,13H2,1-2H3
InChIKey
CWYPVGNYPWEJLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63
TPSA
38.49
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.94
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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