CAS RN: 1417794-54-7
Ethyl-bis-(3-fluoro-benzyl)-aMine
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.20250818 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417794-54-7
- Purity/Analytical Methods: >99.0%
1417794-54-7 / N,N-bis[(3-fluorophenyl)methyl]ethanamine
Basic Information
CAS
1417794-54-7
Multi CAS
No
Molecular Formula
C16H17F2N
Molecular Weight
261.310000
Exact Mass
261.132906
SMILES
CCN(CC1=CC(=CC=C1)F)CC2=CC(=CC=C2)F
InChI
InChI=1S/C16H17F2N/c1-2-19(11-13-5-3-7-15(17)9-13)12-14-6-4-8-16(18)10-14/h3-10H,2,11-12H2,1H3
InChIKey
RUFUOOQAEJFOCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
72.59
TPSA
3.24
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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