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CAS 1212866-82-4 (1R)-1-(6-FLUORO-2-METHOXYPHENYL)ETHYLAMINE-HCl molecular structure lightbox
CAS RN: 1212866-82-4

(1R)-1-(6-FLUORO-2-METHOXYPHENYL)ETHYLAMINE-HCl

  • Product code: SSC-023106
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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 1212866-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1212866-82-4 / (1R)-1-(2-fluoro-6-methoxyphenyl)ethanamine

(R)-1-(2-fluoro-6-methoxyphenyl)ethanamine | (1R)-1-(2-fluoro-6-methoxyphenyl)ethan-1-amine | (R)-1-(2-FLUORO-6-METHOXYPHENYL)ETHAN-1-AMINE

Standard CAS: 1212866-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212866-82-4
Multi CAS
Yes
Molecular Formula
C9H12FNO
Molecular Weight
169.200000
Exact Mass
169.090292
SMILES
C[C@H](C1=C(C=CC=C1F)OC)N
InChI
InChI=1S/C9H12FNO/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKey
QGRDJSQLAIQQNL-ZCFIWIBFSA-N
Synonyms
(R)-1-(2-fluoro-6-methoxyphenyl)ethanamine (1R)-1-(2-fluoro-6-methoxyphenyl)ethan-1-amine (R)-1-(2-FLUORO-6-METHOXYPHENYL)ETHAN-1-AMINE (1R)-1-(6-FLUORO-2-METHOXYPHENYL)ETHYLAMINE MFCD08057482

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.55
TPSA
35.25

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.44

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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