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CAS 1212957-33-9 (1S)-1-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure lightbox
CAS RN: 1212957-33-9

(1S)-1-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-023154
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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: ＞97%
  • 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 1212957-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1212957-33-9 / (1S)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine

1-(2-Methyl-3-(trifluoromethyl)phenyl)ethan-1-amine | 1-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-AMINE | (1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethan-1-amine

Standard CAS: 1212957-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212957-33-9
Multi CAS
Yes
Molecular Formula
C10H12F3N
Molecular Weight
203.200000
Exact Mass
203.092184
SMILES
CC1=C(C=CC=C1C(F)(F)F)[C@H](C)N
InChI
InChI=1S/C10H12F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h3-5,7H,14H2,1-2H3/t7-/m0/s1
InChIKey
UKOXKUZZWGITQE-ZETCQYMHSA-N
Synonyms
1-(2-Methyl-3-(trifluoromethyl)phenyl)ethan-1-amine 1-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-AMINE (1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethan-1-amine 1-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine SCHEMBL20327116

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.78
TPSA
26.02

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.4
Consensus LogP
2.7
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-1.81

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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