![CAS 104174-57-4 [1-(3,4-dimethoxyphenyl)propyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/104174-57-4.gif)
CAS RN: 104174-57-4
[1-(3,4-dimethoxyphenyl)propyl]amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS104174-57-4
- Purity/Analytical Methods: >99.0%
104174-57-4 / 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
[1-(3,4-dimethoxyphenyl)propyl]amine hydrochloride | MFCD18483503 | 1-(3,4-DIMETHOXYPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
Basic Information
CAS
104174-57-4
Multi CAS
No
Molecular Formula
C11H18ClNO2
Molecular Weight
231.720000
Exact Mass
231.102607
SMILES
CCC(C1=CC(=C(C=C1)OC)OC)N.Cl
InChI
InChI=1S/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H
InChIKey
SEUUTSPOQSQOPW-UHFFFAOYSA-N
Synonyms
[1-(3,4-dimethoxyphenyl)propyl]amine hydrochloride
MFCD18483503
1-(3,4-DIMETHOXYPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
SCHEMBL5117534
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.01
TPSA
44.48
LogP / Solubility
WLOGP
2.54
MLOGP
2.23
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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