![CAS 1343316-76-6 2-[4-(Pyridin-3-ylmethoxy)phenyl]ethylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1343316-76-6.gif)
CAS RN: 1343316-76-6
2-[4-(Pyridin-3-ylmethoxy)phenyl]ethylamine
- Product code: SSC-041945
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 |
1343316-76-6 / 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanamine
Basic Information
CAS
1343316-76-6
Multi CAS
No
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
SMILES
C1=CC(=CN=C1)COC2=CC=C(C=C2)CCN
InChI
InChI=1S/C14H16N2O/c15-8-7-12-3-5-14(6-4-12)17-11-13-2-1-9-16-10-13/h1-6,9-10H,7-8,11,15H2
InChIKey
UYRJROSDJDUMHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.77
TPSA
48.14
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
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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