CAS RN: 28075-29-8
N-Methyl-3,3-diphenylpropylamine
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.20250703 | 5g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28075-29-8
- Purity/Analytical Methods: >99.0%
28075-29-8 / N-methyl-3,3-diphenylpropan-1-amine
Basic Information
CAS
28075-29-8
Multi CAS
No
Molecular Formula
C16H19N
Molecular Weight
225.330000
Exact Mass
225.151750
SMILES
CNCCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey
AKEGHAUFMKCWGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.27
TPSA
12.03
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
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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