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CAS 102766-74-5 2-METHYL-4-(4-TRIFLUOROMETHYL-PHENOXY)-PHENYLAMINE molecular structure lightbox
CAS RN: 102766-74-5

2-METHYL-4-(4-TRIFLUOROMETHYL-PHENOXY)-PHENYLAMINE

  • Product code: SSC-004114
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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 102766-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

102766-74-5 / 2-methyl-4-[4-(trifluoromethyl)phenoxy]aniline

2-Methyl-4-(4-(trifluoromethyl)phenoxy)aniline | 2-methyl-4-[4-(trifluoromethyl)phenoxy]aniline | 2-Methyl-4-(4-trifluoromethyl-phenoxy)-phenylamine

Standard CAS: 102766-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102766-74-5
Multi CAS
No
Molecular Formula
C14H12F3NO
Molecular Weight
267.250000
Exact Mass
267.087098
SMILES
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C14H12F3NO/c1-9-8-12(6-7-13(9)18)19-11-4-2-10(3-5-11)14(15,16)17/h2-8H,18H2,1H3
InChIKey
XEZSBTYKZOAQQK-UHFFFAOYSA-N
Synonyms
2-Methyl-4-(4-(trifluoromethyl)phenoxy)aniline 2-methyl-4-[4-(trifluoromethyl)phenoxy]aniline 2-Methyl-4-(4-trifluoromethyl-phenoxy)-phenylamine MFCD04973006 4-[4'-trifluoromethylphenoxy]-2-methylaniline

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.11
TPSA
35.25

LogP / Solubility

WLOGP
4.39
MLOGP
3.87
XLogP3
3.7
Consensus LogP
3.99
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-1.23

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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