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CAS 1087351-23-2 N-benzyl-4-(trifluoromethyl)cyclohexan-1-amine, 97%(HPLC) molecular structure lightbox
CAS RN: 1087351-23-2

N-benzyl-4-(trifluoromethyl)cyclohexan-1-amine, 97%(HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN926787
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1087351-23-2 / N-benzyl-4-(trifluoromethyl)cyclohexan-1-amine

benzyl(4-trifluoromethylcyclohexyl)amine | SCHEMBL2984310 | SCHEMBL13526591

Standard CAS: 1087351-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1087351-23-2
Multi CAS
No
Molecular Formula
C14H18F3N
Molecular Weight
257.290000
Exact Mass
257.139134
SMILES
C1CC(CCC1C(F)(F)F)NCC2=CC=CC=C2
InChI
InChI=1S/C14H18F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-5,12-13,18H,6-10H2
InChIKey
GKMOAZPDXSUTDZ-UHFFFAOYSA-N
Synonyms
benzyl(4-trifluoromethylcyclohexyl)amine SCHEMBL2984310 SCHEMBL13526591 N-benzyl-4-(trifluoromethyl)cyclohexan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.08
TPSA
12.03

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

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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