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CAS 263893-81-8 Benzenemethanamine, 3-ethoxy-alpha-methyl-, (alphaR)- (9CI) molecular structure lightbox
CAS RN: 263893-81-8

Benzenemethanamine, 3-ethoxy-alpha-methyl-, (alphaR)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS263893-81-8
  • Purity/Analytical Methods: >99.0%
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263893-81-8 / 1-(3-ethoxyphenyl)ethanamine

Standard CAS: 263893-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263893-81-8
Multi CAS
No
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
CCOC1=CC=CC(=C1)C(C)N
InChI
InChI=1S/C10H15NO/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKey
YIPGPYIRKCOZJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.21
TPSA
35.25

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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