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CAS 1094341-18-0 1-(3-(TRIFLUOROMETHYL)PHENYL)CYCLOPENTANAMINE molecular structure lightbox
CAS RN: 1094341-18-0

1-(3-(TRIFLUOROMETHYL)PHENYL)CYCLOPENTANAMINE

  • Product code: SSC-010775
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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 1094341-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094341-18-0 / 1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine

1-(3-(Trifluoromethyl)phenyl)cyclopentanamine | 1-[3-(Trifluoromethyl)phenyl]cyclopentanamine | MFCD09910054

Standard CAS: 1094341-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094341-18-0
Multi CAS
No
Molecular Formula
C12H14F3N
Molecular Weight
229.240000
Exact Mass
229.107834
SMILES
C1CCC(C1)(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-4-9(8-10)11(16)6-1-2-7-11/h3-5,8H,1-2,6-7,16H2
InChIKey
JTQCHEGMNUGFPQ-UHFFFAOYSA-N
Synonyms
1-(3-(Trifluoromethyl)phenyl)cyclopentanamine 1-[3-(Trifluoromethyl)phenyl]cyclopentanamine MFCD09910054 1-(3-(Trifluoromethyl)phenyl)cyclopentan-1-amine 1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.78
TPSA
26.02

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
2.7
Consensus LogP
3.05
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.68

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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