![CAS 1003887-72-6 (1S)-2-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6155238.gif)
CAS RN: 1003887-72-6
(1S)-2-METHYL-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.20250929 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1003887-72-6
- Purity/Analytical Methods: >99.0%
1003887-72-6 / (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine | 2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-1-amine | RefChem:474857
Basic Information
CAS
1003887-72-6
Multi CAS
Yes
Molecular Formula
C11H14F3N
Molecular Weight
217.230000
Exact Mass
217.107834
SMILES
CC(C)[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C11H14F3N/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7,10H,15H2,1-2H3/t10-/m0/s1
InChIKey
ZIGRFQVTVOTIOG-JTQLQIEISA-N
Synonyms
2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-1-amine
RefChem:474857
838-174-2
SCHEMBL3979140
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.21
TPSA
26.02
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3
Consensus LogP
3.11
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.66
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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