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CAS 1339903-09-1 2-(4-Ethylphenoxy)-N,N-dimethylethanamine molecular structure lightbox
CAS RN: 1339903-09-1

2-(4-Ethylphenoxy)-N,N-dimethylethanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1339903-09-1
  • Purity/Analytical Methods: >99.0%
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1339903-09-1 / 2-(4-ethylphenoxy)-N,N-dimethylethanamine

Standard CAS: 1339903-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339903-09-1
Multi CAS
No
Molecular Formula
C12H19NO
Molecular Weight
193.280000
Exact Mass
193.146664
SMILES
CCC1=CC=C(C=C1)OCCN(C)C
InChI
InChI=1S/C12H19NO/c1-4-11-5-7-12(8-6-11)14-10-9-13(2)3/h5-8H,4,9-10H2,1-3H3
InChIKey
FVICGTAIGPKMLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
59.87
TPSA
12.47

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.34

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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