CAS RN: 1075715-56-8
(S)-1-(2-Fluorophenyl)propan-1-aMine hydrochloride
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.20251012 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1075715-56-8
- Purity/Analytical Methods: >99.0%
1075715-56-8 / (1S)-1-(2-fluorophenyl)propan-1-amine
1-(2-Fluorophenyl)propan-1-amine | 1-(2-Fluorophenyl)propylamine | MFCD07784283
Basic Information
CAS
1075715-56-8
Multi CAS
Yes
Molecular Formula
C9H12FN
Molecular Weight
153.200000
Exact Mass
153.095378
SMILES
CC[C@@H](C1=CC=CC=C1F)N
InChI
InChI=1S/C9H12FN/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9H,2,11H2,1H3/t9-/m0/s1
InChIKey
CQTLDYYIWIOAAV-VIFPVBQESA-N
Synonyms
1-(2-Fluorophenyl)propan-1-amine
1-(2-Fluorophenyl)propylamine
MFCD07784283
(1R)-1-(2-FLUOROPHENYL)PROPYLAMINE
SCHEMBL5205809
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
43.62
TPSA
26.02
LogP / Solubility
WLOGP
2.24
MLOGP
1.96
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.07
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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