CAS RN: 925920-82-7

2-methyl-5-(4-morpholinylmethyl)benzenamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS925920-82-7
  • Purity/Analytical Methods: >99.0%
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925920-82-7 / 2-methyl-5-(morpholin-4-ylmethyl)aniline

Standard CAS: 925920-82-7 Multi CAS: No

Basic Information

CAS
925920-82-7
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
InChI
InChI=1S/C12H18N2O/c1-10-2-3-11(8-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3
InChIKey
NPVCQTRILTZRCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.69
TPSA
38.49

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.98

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
1.5

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