CAS RN: 1011-11-6
(trans)-2-Phenylcyclohexylamine
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.20260207 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1011-11-6
- Purity/Analytical Methods: >99.0%
1011-11-6 / trans-(1R,2S)-2-phenylcyclohexan-1-amine
(1R,2S)-2-phenylcyclohexan-1-amine | rac-(1R,2S)-2-phenylcyclohexanamine | Cyclohexanamine, 2-phenyl-, (1R,2S)-rel-
Basic Information
CAS
1011-11-6
Multi CAS
Yes
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2/t11-,12+/m0/s1
InChIKey
KLJIPLWGNJQJRM-NWDGAFQWSA-N
Synonyms
(1R,2S)-2-phenylcyclohexan-1-amine
rac-(1R,2S)-2-phenylcyclohexanamine
Cyclohexanamine, 2-phenyl-, (1R,2S)-rel-
starbld0007039
SCHEMBL4041525
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.63
TPSA
26.02
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.51
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
