CAS RN: 1212831-44-1
(1R)-1-(4-FLUORO-2-METHYLPHENYL)ETHYLAMINE
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.20250212 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1212831-44-1
- Purity/Analytical Methods: >99.0%
1212831-44-1 / (1R)-1-(4-fluoro-2-methylphenyl)ethanamine
(R)-1-(4-FLUORO-2-METHYLPHENYL)ETHAN-1-AMINE | (1R)-1-(4-fluoro-2-methylphenyl)ethan-1-amine | (1R)-1-(4-FLUORO-2-METHYLPHENYL)ETHYLAMINE
Basic Information
CAS
1212831-44-1
Multi CAS
Yes
Molecular Formula
C9H12FN
Molecular Weight
153.200000
Exact Mass
153.095378
SMILES
CC1=C(C=CC(=C1)F)[C@@H](C)N
InChI
InChI=1S/C9H12FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m1/s1
InChIKey
PQULUYWADYJNDJ-SSDOTTSWSA-N
Synonyms
(R)-1-(4-FLUORO-2-METHYLPHENYL)ETHAN-1-AMINE
(1R)-1-(4-fluoro-2-methylphenyl)ethan-1-amine
(1R)-1-(4-FLUORO-2-METHYLPHENYL)ETHYLAMINE
MFCD08057558
AKOS015840346
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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