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CAS 854184-85-3 (4-ethoxy-3-methoxyphenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 854184-85-3

(4-ethoxy-3-methoxyphenyl)methanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS854184-85-3
  • Purity/Analytical Methods: >99.0%
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854184-85-3 / (4-ethoxy-3-methoxyphenyl)methanamine;hydrochloride

Standard CAS: 854184-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854184-85-3
Multi CAS
Yes
Molecular Formula
C10H16CLNO2
Molecular Weight
217.690000
Exact Mass
217.086956
InChI
InChI=1S/C10H15NO2.ClH/c1-3-13-9-5-4-8(7-11)6-10(9)12-2;/h4-6H,3,7,11H2,1-2H3;1H
InChIKey
AROJCEVTSSMEQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.3
TPSA
44.48

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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