CAS RN: 15919-49-0
Benzenamine, N-(1,3-dimethylbutyl)-
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.20250414 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15919-49-0
- Purity/Analytical Methods: >99.0%
15919-49-0 / N-(4-methylpentan-2-yl)aniline
Basic Information
CAS
15919-49-0
Multi CAS
No
Molecular Formula
C12H19N
Molecular Weight
177.290000
Exact Mass
177.151750
SMILES
CC(C)CC(C)NC1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKey
RVWOAJFOMVFZIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.98
TPSA
12.03
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
4
Consensus LogP
3.55
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-1.29
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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