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CAS 947017-80-3 5-Methyl-2-[2-(2-methyl-piperidin-1-yl)-ethoxy]-phenylamine molecular structure lightbox
CAS RN: 947017-80-3

5-Methyl-2-[2-(2-methyl-piperidin-1-yl)-ethoxy]-phenylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS947017-80-3
  • Purity/Analytical Methods: >99.0%
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947017-80-3 / 5-methyl-2-[2-(2-methylpiperidin-1-yl)ethoxy]aniline

Standard CAS: 947017-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947017-80-3
Multi CAS
No
Molecular Formula
C15H24N2O
Molecular Weight
248.360000
Exact Mass
248.188863
InChI
InChI=1S/C15H24N2O/c1-12-6-7-15(14(16)11-12)18-10-9-17-8-4-3-5-13(17)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKey
HRPDBBKHZCQZKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.97
TPSA
38.49

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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