CAS RN: 121020-62-0
(4-METHOXY-BENZYL)-PYRIDIN-2-YLMETHYL-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS121020-62-0
- Purity/Analytical Methods: >99.0%
121020-62-0 / 1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
(4-Methoxy-benzyl)-pyridin-2-ylmethyl-amine | N-(4-methoxybenzyl)-1-(pyridin-2-yl)methanamine | (4-METHOXYBENZYL)(PYRIDIN-2-YLMETHYL)AMINE
Basic Information
CAS
121020-62-0
Multi CAS
No
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
SMILES
COC1=CC=C(C=C1)CNCC2=CC=CC=N2
InChI
InChI=1S/C14H16N2O/c1-17-14-7-5-12(6-8-14)10-15-11-13-4-2-3-9-16-13/h2-9,15H,10-11H2,1H3
InChIKey
XSWSTFNTFFKSLS-UHFFFAOYSA-N
Synonyms
(4-Methoxy-benzyl)-pyridin-2-ylmethyl-amine
N-(4-methoxybenzyl)-1-(pyridin-2-yl)methanamine
(4-METHOXYBENZYL)(PYRIDIN-2-YLMETHYL)AMINE
1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
(4-METHOXYPHENYL)-N-((PYRIDIN-2-YL)METHYL)METHANAMINE
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.77
TPSA
34.15
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.7
Consensus LogP
2.06
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.42
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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