CAS RN: 1864059-03-9
2-METHYL-1-(4-METHYLPHENYL)PROPYLAMINE 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.20260628 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864059-03-9
- Purity/Analytical Methods: >99.0%
1864059-03-9 / 2-methyl-1-(4-methylphenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1864059-03-9
Multi CAS
No
Molecular Formula
C11H18ClN
Molecular Weight
199.720000
Exact Mass
199.112777
SMILES
CC1=CC=C(C=C1)C(C(C)C)N.Cl
InChI
InChI=1S/C11H17N.ClH/c1-8(2)11(12)10-6-4-9(3)5-7-10;/h4-8,11H,12H2,1-3H3;1H
InChIKey
QQAYCEWJQMBYRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.19
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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