![CAS 672906-71-7 (S)-N-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/672906-71-7.gif)
CAS RN: 672906-71-7
(S)-N-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
- Product code: SSC-176986
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
672906-71-7 / N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
Basic Information
CAS
672906-71-7
Multi CAS
Yes
Molecular Formula
C10F3H12N
Molecular Weight
203.200000
Exact Mass
203.092184
InChI
InChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3
InChIKey
HJCYBPVJJPKIFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.92
TPSA
12.03
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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