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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
105973-37-3 / 2-cyclohexyloxyaniline
2-(cyclohexyloxy)aniline | [2-(cyclohexyloxy)phenyl]amine | 2-Cyclohexyloxy-phenylamine
Basic Information
CAS
105973-37-3
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
C1CCC(CC1)OC2=CC=CC=C2N
InChI
InChI=1S/C12H17NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,13H2
InChIKey
SSQJMJAWJMYYKO-UHFFFAOYSA-N
Synonyms
2-(cyclohexyloxy)aniline
[2-(cyclohexyloxy)phenyl]amine
2-Cyclohexyloxy-phenylamine
2-cyclohexyloxyaniline
MFCD04970987
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.36
TPSA
35.25
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
