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CAS 105615-45-0 (R)-o-Methyl-a-phenethylamine molecular structure lightbox
CAS RN: 105615-45-0

(R)-o-Methyl-a-phenethylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-007330
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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: 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 105615-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

105615-45-0 / (1R)-1-(2-methylphenyl)ethanamine

(R)-1-(o-tolyl)ethanamine | (R)-o-Methyl-a-phenethylamine | (1R)-1-(2-methylphenyl)ethan-1-amine

Standard CAS: 105615-45-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105615-45-0
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
SMILES
CC1=CC=CC=C1[C@@H](C)N
InChI
InChI=1S/C9H13N/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
InChIKey
ZCDYTNZJBGSKFI-MRVPVSSYSA-N
Synonyms
(R)-1-(o-tolyl)ethanamine (R)-o-Methyl-a-phenethylamine (1R)-1-(2-methylphenyl)ethan-1-amine (1R)-1-(2-methylphenyl)ethanamine MFCD06761816

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.78
TPSA
26.02

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.11

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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