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CAS 96286-08-7 2-[1-(Methylamino)ethyl]indole molecular structure lightbox
CAS RN: 96286-08-7

2-[1-(Methylamino)ethyl]indole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS96286-08-7
  • Purity/Analytical Methods: >99.0%
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96286-08-7 / 1-(1H-indol-2-yl)-N-methylethanamine

Standard CAS: 96286-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96286-08-7
Multi CAS
Yes
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
InChI
InChI=1S/C11H14N2/c1-8(12-2)11-7-9-5-3-4-6-10(9)13-11/h3-8,12-13H,1-2H3
InChIKey
KLFJXADECANLNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
55.77
TPSA
27.82

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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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