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CAS 65687-09-4 2,2,2-trifluoro-N-methyl-1-phenylethanamine molecular structure lightbox
CAS RN: 65687-09-4

2,2,2-trifluoro-N-methyl-1-phenylethanamine

  • Product code: SSC-175325
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 65687-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

65687-09-4 / 2,2,2-trifluoro-N-methyl-1-phenylethanamine

Standard CAS: 65687-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65687-09-4
Multi CAS
No
Molecular Formula
C9F3H10N
Molecular Weight
189.180000
Exact Mass
189.076534
InChI
InChI=1S/C9H10F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8,13H,1H3
InChIKey
PARXLQDTVSGAAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.3
TPSA
12.03

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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