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CAS 20050-15-1 (R)-(1-(2,4,6-Trimethylphenyl)ethyl)amine molecular structure lightbox
CAS RN: 20050-15-1

(R)-(1-(2,4,6-Trimethylphenyl)ethyl)amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100mg In stock Shanghai Inquiry
  • Product code: SSC-094392
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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 20050-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

20050-15-1 / (1R)-1-(2,4,6-trimethylphenyl)ethanamine

Standard CAS: 20050-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20050-15-1
Multi CAS
No
Molecular Formula
C11H17N
Molecular Weight
163.260000
Exact Mass
163.136100
SMILES
CC1=CC(=C(C(=C1)C)[C@@H](C)N)C
InChI
InChI=1S/C11H17N/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,12H2,1-4H3/t10-/m1/s1
InChIKey
LVIICDKJNNIEQG-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.26
TPSA
26.02

LogP / Solubility

WLOGP
2.63
MLOGP
2.31
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-1.85

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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