![CAS 1003887-67-9 (1S)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0176062.gif)
CAS RN: 1003887-67-9
(1S)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE
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.20250921 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1003887-67-9
- Purity/Analytical Methods: >99.0%
1003887-67-9 / (1S)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
1-[4-(Trifluoromethyl)phenyl]propylamine | 1-(4-(Trifluoromethyl)phenyl)propylamine | RefChem:424560
Basic Information
CAS
1003887-67-9
Multi CAS
Yes
Molecular Formula
C10H12F3N
Molecular Weight
203.200000
Exact Mass
203.092184
SMILES
CC[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9H,2,14H2,1H3/t9-/m0/s1
InChIKey
YOETTZCHIABKPH-VIFPVBQESA-N
Synonyms
1-[4-(Trifluoromethyl)phenyl]propylamine
1-(4-(Trifluoromethyl)phenyl)propylamine
RefChem:424560
829-026-8
1-(4-(Trifluoromethyl)phenyl)propan-1-amine
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.66
TPSA
26.02
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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