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CAS 883107-58-2 2-Benzyloxy-6-methylaniline molecular structure lightbox
CAS RN: 883107-58-2

2-Benzyloxy-6-methylaniline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS883107-58-2
  • Purity/Analytical Methods: >99.0%
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883107-58-2 / 2-methyl-6-phenylmethoxyaniline

Standard CAS: 883107-58-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883107-58-2
Multi CAS
No
Molecular Formula
C14H15NO
Molecular Weight
213.270000
Exact Mass
213.115364
InChI
InChI=1S/C14H15NO/c1-11-6-5-9-13(14(11)15)16-10-12-7-3-2-4-8-12/h2-9H,10,15H2,1H3
InChIKey
RXZGJDHFSKTGHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.37
TPSA
35.25

LogP / Solubility

WLOGP
3.16
MLOGP
2.78
XLogP3
3.1
Consensus LogP
3.01
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.78

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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