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CAS 68295-45-4 (R)-(-)-2-(ANILINOMETHYL)PYRROLIDINE molecular structure lightbox
CAS RN: 68295-45-4

(R)-(-)-2-(ANILINOMETHYL)PYRROLIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68295-45-4
  • Purity/Analytical Methods: >99.0%
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68295-45-4 / N-(pyrrolidin-2-ylmethyl)aniline

Standard CAS: 68295-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68295-45-4
Multi CAS
Yes
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m1/s1
InChIKey
MCHWKJRTMPIHRA-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.96
TPSA
24.06

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2
Consensus LogP
1.83
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.48

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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