CAS RN: 1213181-44-2
(1S)-1-(4-FLUORO-3-METHYLPHENYL)ETHYLAMINE-HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213181-44-2
- Purity/Analytical Methods: >99.0%
1213181-44-2 / (1S)-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
(S)-1-(4-Fluoro-3-methylphenyl)ethanamine hydrochloride | (1S)-1-(4-FLUORO-3-METHYLPHENYL)ETHYLAMINE-HCl | MFCD11101157
Basic Information
CAS
1213181-44-2
Multi CAS
Yes
Molecular Formula
C9H13ClFN
Molecular Weight
189.660000
Exact Mass
189.072055
SMILES
CC1=C(C=CC(=C1)[C@H](C)N)F.Cl
InChI
InChI=1S/C9H12FN.ClH/c1-6-5-8(7(2)11)3-4-9(6)10;/h3-5,7H,11H2,1-2H3;1H/t7-;/m0./s1
InChIKey
HZEFSEOLAJTAQO-FJXQXJEOSA-N
Synonyms
(S)-1-(4-Fluoro-3-methylphenyl)ethanamine hydrochloride
(1S)-1-(4-FLUORO-3-METHYLPHENYL)ETHYLAMINE-HCl
MFCD11101157
(1S)-1-(4-Fluoro-3-methylphenyl)ethylamine hydrochloride
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.99
TPSA
26.02
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.05
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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