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CAS 136468-19-4 5-METHOXY-6-METHYL-2-AMINOINDAN molecular structure lightbox
CAS RN: 136468-19-4

5-METHOXY-6-METHYL-2-AMINOINDAN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS136468-19-4
  • Purity/Analytical Methods: >99.0%
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136468-19-4 / 5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine

Standard CAS: 136468-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136468-19-4
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC1=CC2=C(CC(C2)N)C=C1OC
InChI
InChI=1S/C11H15NO/c1-7-3-8-4-10(12)5-9(8)6-11(7)13-2/h3,6,10H,4-5,12H2,1-2H3
InChIKey
JLESVLCTIOAHPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.11
TPSA
35.25

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.7
Consensus LogP
1.46
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.79

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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