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CAS 101488-60-2 4-(TrifluoroMethyl)-benzenepropanaMine molecular structure lightbox
CAS RN: 101488-60-2

4-(TrifluoroMethyl)-benzenepropanaMine

  • Product code: SSC-002319
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101488-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

101488-60-2 / 3-[4-(trifluoromethyl)phenyl]propan-1-amine

3-(4-(Trifluoromethyl)phenyl)propan-1-amine | Benzenepropanamine, 4-(trifluoromethyl)- | 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-AMINE

Standard CAS: 101488-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101488-60-2
Multi CAS
No
Molecular Formula
C10H12F3N
Molecular Weight
203.200000
Exact Mass
203.092184
SMILES
C1=CC(=CC=C1CCCN)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKey
OHYSYTVKICEPLQ-UHFFFAOYSA-N
Synonyms
3-(4-(Trifluoromethyl)phenyl)propan-1-amine Benzenepropanamine, 4-(trifluoromethyl)- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-AMINE MFCD07374085 3-(4-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.82
TPSA
26.02

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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