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CAS 276875-50-4 1-(3′-Fluorophenyl)ethylamine hydrochloride molecular structure lightbox
CAS RN: 276875-50-4

1-(3′-Fluorophenyl)ethylamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS276875-50-4
  • Purity/Analytical Methods: >99.0%
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276875-50-4 / 1-(3-fluorophenyl)ethanamine;hydrochloride

Standard CAS: 276875-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
276875-50-4
Multi CAS
No
Molecular Formula
C8H11ClFN
Molecular Weight
175.630000
Exact Mass
175.056405
InChI
InChI=1S/C8H10FN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H
InChIKey
RKALWMOKWLLQMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.25
TPSA
26.02

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.18

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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