[email protected]
CAS 1439902-21-2 2-(3-Methoxypyridin-2-yl)-2-methylpropan-1-amine molecular structure lightbox
CAS RN: 1439902-21-2

2-(3-Methoxypyridin-2-yl)-2-methylpropan-1-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1439902-21-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1439902-21-2 / 2-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine

Standard CAS: 1439902-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1439902-21-2
Multi CAS
No
Molecular Formula
C10H16N2O
Molecular Weight
180.250000
Exact Mass
180.126263
SMILES
CC(C)(CN)C1=C(C=CC=N1)OC
InChI
InChI=1S/C10H16N2O/c1-10(2,7-11)9-8(13-3)5-4-6-12-9/h4-6H,7,11H2,1-3H3
InChIKey
DHNGASHZUUKVAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.87
TPSA
48.14

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us