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CAS 1178243-33-8 4-(2-methoxyethoxy)-N-methylaniline, 97%(HPLC) molecular structure lightbox
CAS RN: 1178243-33-8

4-(2-methoxyethoxy)-N-methylaniline, 97%(HPLC)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN927198
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1178243-33-8 / 4-(2-methoxyethoxy)-N-methylaniline

4-(2-methoxyethoxy)-N-methylaniline | SCHEMBL13361657 | DXB24333

Standard CAS: 1178243-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178243-33-8
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
CNC1=CC=C(C=C1)OCCOC
InChI
InChI=1S/C10H15NO2/c1-11-9-3-5-10(6-4-9)13-8-7-12-2/h3-6,11H,7-8H2,1-2H3
InChIKey
VDDNSZAXDAZHHP-UHFFFAOYSA-N
Synonyms
4-(2-methoxyethoxy)-N-methylaniline SCHEMBL13361657 DXB24333 AKOS005302476 CS-0258176

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.36
TPSA
30.49

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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