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CAS 5379-79-3 Indol-1-ylmethyl-dimethyl-amine molecular structure lightbox
CAS RN: 5379-79-3

Indol-1-ylmethyl-dimethyl-amine

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Batchno.20251218 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS5379-79-3
  • Purity/Analytical Methods: >99.0%
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5379-79-3 / 1-indol-1-yl-N,N-dimethylmethanamine

Standard CAS: 5379-79-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5379-79-3
Multi CAS
Yes
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
InChI
InChI=1S/C11H14N2/c1-12(2)9-13-8-7-10-5-3-4-6-11(10)13/h3-8H,9H2,1-2H3
InChIKey
YIMPWIJIKJBRDM-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
2
Molar refractivity
55.63
TPSA
8.17

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.8
Consensus LogP
2.29
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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