CAS RN: 15382-71-5
BenzenaMine, 3-Methoxy-4-(phenylMethoxy)-
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.20260116 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926430
15382-71-5 / 3-methoxy-4-phenylmethoxyaniline
Basic Information
CAS
15382-71-5
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
COC1=C(C=CC(=C1)N)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
InChIKey
QICKPCCDIZRANX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.18
TPSA
44.48
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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