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CAS 170015-96-0 2-[4-(2,2,2-Trifluoroethoxy)phenyl]ethylaMine molecular structure lightbox
CAS RN: 170015-96-0

2-[4-(2,2,2-Trifluoroethoxy)phenyl]ethylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-074628
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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: 0.1g, 0.25g, 1g, 5g
  • 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 170015-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

170015-96-0 / 2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine

Standard CAS: 170015-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170015-96-0
Multi CAS
No
Molecular Formula
C10H12F3NO
Molecular Weight
219.200000
Exact Mass
219.087098
SMILES
C1=CC(=CC=C1CCN)OCC(F)(F)F
InChI
InChI=1S/C10H12F3NO/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h1-4H,5-7,14H2
InChIKey
LEWYHTQOEBEEKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.75
TPSA
35.25

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.55

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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