CAS RN: 239105-47-6
(R)-1-(p-Tolyl)propan-1-amine
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.20260420 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINR902114
239105-47-6 / 1-(4-methylphenyl)propan-1-amine
Basic Information
CAS
239105-47-6
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CCC(C1=CC=C(C=C1)C)N
InChI
InChI=1S/C10H15N/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10H,3,11H2,1-2H3
InChIKey
FWTZOQCAVLMPJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.4
TPSA
26.02
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-1-(Pyridin-2-yl)propan-1-amine dihydrochloride
- CAS RN: 1263198-96-4
- Product Code: LINR898710
-
(R)-1-(N-benzyloxycarbonylamino)ethylphosphinic acid
- CAS RN: 115115-40-7
- Product Code: LINR888558
-
(R)-1-N-BOC-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID
- CAS RN: 173774-48-6
- Product Code: SSC-076287
-
(R)-1-tert-Butyl 3-ethyl 4-benzyl-5-oxopiperazine-1,3-dicarboxylate
- CAS RN: 1384268-70-5
- Product Code: LINR926992
-
(R)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid
- CAS RN: 952345-00-5
- Product Code: SSC-210539
-
