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CAS 1213299-63-8 (S)-1-(4-Fluoro-3-methylphenyl)ethanamine molecular structure lightbox
CAS RN: 1213299-63-8

(S)-1-(4-Fluoro-3-methylphenyl)ethanamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 250mg In stock Shanghai Inquiry
  • Product code: SSC-023291
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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 1213299-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1213299-63-8 / (1S)-1-(4-fluoro-3-methylphenyl)ethanamine

1-(4-fluoro-3-methylphenyl)ethan-1-amine | 1-(4-fluoro-3-methylphenyl)ethanamine | MFCD12805315

Standard CAS: 1213299-63-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213299-63-8
Multi CAS
Yes
Molecular Formula
C9H12FN
Molecular Weight
153.200000
Exact Mass
153.095378
SMILES
CC1=C(C=CC(=C1)[C@H](C)N)F
InChI
InChI=1S/C9H12FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKey
JBEYNOQDGHMKQW-ZETCQYMHSA-N
Synonyms
1-(4-fluoro-3-methylphenyl)ethan-1-amine 1-(4-fluoro-3-methylphenyl)ethanamine MFCD12805315 SCHEMBL10361586 SB76598

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.74
TPSA
26.02

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.13

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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