CAS RN: 16413-71-1
N,N-dimethyl-1-(naphthalen-1-yl)methanamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS16413-71-1
- Purity/Analytical Methods: >99.0%
16413-71-1 / N,N-dimethyl-1-naphthalen-1-ylmethanamine
Basic Information
CAS
16413-71-1
Multi CAS
No
Molecular Formula
C13H15N
Molecular Weight
185.260000
Exact Mass
185.120449
SMILES
CN(C)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H15N/c1-14(2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3
InChIKey
PTKSORMJFKONON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.34
TPSA
3.24
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
3.1
Consensus LogP
2.85
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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