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CAS 438245-97-7 Benzenemethanamine, 3-methoxy-N,alpha-dimethyl- (9CI) molecular structure lightbox
CAS RN: 438245-97-7

Benzenemethanamine, 3-methoxy-N,alpha-dimethyl- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS438245-97-7
  • Purity/Analytical Methods: >99.0%
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438245-97-7 / 1-(3-methoxyphenyl)-N-methylethanamine

Standard CAS: 438245-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438245-97-7
Multi CAS
No
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
InChI
InChI=1S/C10H15NO/c1-8(11-2)9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3
InChIKey
QZEPBVRIPQSJDG-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
50.47
TPSA
21.26

LogP / Solubility

WLOGP
1.98
MLOGP
1.73
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.33

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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