![CAS 91271-82-8 1-[2-(Morpholin-4-ylmethyl)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91271-82-8.gif)
CAS RN: 91271-82-8
1-[2-(Morpholin-4-ylmethyl)phenyl]methanamine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS91271-82-8
- Purity/Analytical Methods: >99.0%
91271-82-8 / [2-(morpholin-4-ylmethyl)phenyl]methanamine
Basic Information
CAS
91271-82-8
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
InChI
InChI=1S/C12H18N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
InChIKey
NMFAEZHWSZZJOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.43
TPSA
38.49
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.4
Consensus LogP
0.75
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-3.28
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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