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CAS 910037-03-5 3-[3-(Dimethylamino)propoxy]-N-methylbenzylamine molecular structure lightbox
CAS RN: 910037-03-5

3-[3-(Dimethylamino)propoxy]-N-methylbenzylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS910037-03-5
  • Purity/Analytical Methods: >99.0%
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910037-03-5 / N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine

Standard CAS: 910037-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
910037-03-5
Multi CAS
No
Molecular Formula
C13H22N2O
Molecular Weight
222.330000
Exact Mass
222.173213
InChI
InChI=1S/C13H22N2O/c1-14-11-12-6-4-7-13(10-12)16-9-5-8-15(2)3/h4,6-7,10,14H,5,8-9,11H2,1-3H3
InChIKey
ODWHICGCLWFLBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.87
TPSA
24.5

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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