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CAS 72955-82-9 2-(2-METHOXYPHENOXY)-N-METHYLETHYLAMINE molecular structure lightbox
CAS RN: 72955-82-9

2-(2-METHOXYPHENOXY)-N-METHYLETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72955-82-9
  • Purity/Analytical Methods: >99.0%
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72955-82-9 / 2-(2-methoxyphenoxy)-N-methylethanamine

Standard CAS: 72955-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72955-82-9
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
InChI
InChI=1S/C10H15NO2/c1-11-7-8-13-10-6-4-3-5-9(10)12-2/h3-6,11H,7-8H2,1-2H3
InChIKey
VOIPEKOXTFLQNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.42
TPSA
30.49

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.51
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)
-2.91

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

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