![CAS 1212261-04-5 (S)-N-[1-(3-FLUOROPHENYL)ETHYL]METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1212261-04-5.gif)
CAS RN: 1212261-04-5
(S)-N-[1-(3-FLUOROPHENYL)ETHYL]METHYLAMINE
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.20251123 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1212261-04-5
- Purity/Analytical Methods: >99.0%
1212261-04-5 / (1S)-1-(3-fluorophenyl)-N-methylethanamine
(RS)-N-[1-(3-fluorophenyl)ethyl]methylamine | 1-(3-fluorophenyl)-N-methylethanamine | [1-(3-fluorophenyl)ethyl](methyl)amine
Basic Information
CAS
1212261-04-5
Multi CAS
Yes
Molecular Formula
C9H12FN
Molecular Weight
153.200000
Exact Mass
153.095378
SMILES
C[C@@H](C1=CC(=CC=C1)F)NC
InChI
InChI=1S/C9H12FN/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKey
PZBFMZHXSLJFMU-ZETCQYMHSA-N
Synonyms
(RS)-N-[1-(3-fluorophenyl)ethyl]methylamine
1-(3-fluorophenyl)-N-methylethanamine
[1-(3-fluorophenyl)ethyl](methyl)amine
MFCD07784285
Benzenemethanamine,3-fluoro-N,a-dimethyl-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.87
TPSA
12.03
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.16
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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