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CAS 54737-66-5 2-(4-Phenoxyphenyl)propan-2-aMine molecular structure lightbox
CAS RN: 54737-66-5

2-(4-Phenoxyphenyl)propan-2-aMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54737-66-5
  • Purity/Analytical Methods: >99.0%
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54737-66-5 / 2-(4-phenoxyphenyl)propan-2-amine

Standard CAS: 54737-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54737-66-5
Multi CAS
No
Molecular Formula
C15H17NO
Molecular Weight
227.300000
Exact Mass
227.131014
InChI
InChI=1S/C15H17NO/c1-15(2,16)12-8-10-14(11-9-12)17-13-6-4-3-5-7-13/h3-11H,16H2,1-2H3
InChIKey
YLAODKGKGJCBKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.17
TPSA
35.25

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
2.9
Consensus LogP
3.27
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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