CAS RN: 1654774-17-0
1-Methyl-1-p-tolyl-ethylamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251225 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1654774-17-0
- Purity/Analytical Methods: >99.0%
1654774-17-0 / 2-(4-methylphenyl)propan-2-amine;hydrochloride
Basic Information
CAS
1654774-17-0
Multi CAS
No
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CC1=CC=C(C=C1)C(C)(C)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-8-4-6-9(7-5-8)10(2,3)11;/h4-7H,11H2,1-3H3;1H
InChIKey
YFLBJTNWGLYSFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.64
TPSA
26.02
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.61
Consensus LogP
2.51
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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
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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![CAS 1655430-59-3 N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1655430-59-3.gif)
