CAS RN: 1204595-16-3
3-methyl-1-(naphthalen-1-yl)butan-1-amine hydrochloride
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.20251211 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1204595-16-3
- Purity/Analytical Methods: >99.0%
1204595-16-3 / 3-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
3-methyl-1-(naphthalen-1-yl)butan-1-amine hydrochloride | 3-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride | 3-methyl-1-(naphthalen-1-yl)butan-1-aminehydrochloride
Basic Information
CAS
1204595-16-3
Multi CAS
No
Molecular Formula
C15H20ClN
Molecular Weight
249.780000
Exact Mass
249.128427
SMILES
CC(C)CC(C1=CC=CC2=CC=CC=C21)N.Cl
InChI
InChI=1S/C15H19N.ClH/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15H,10,16H2,1-2H3;1H
InChIKey
RRHFHGWIRLRBQB-UHFFFAOYSA-N
Synonyms
3-methyl-1-(naphthalen-1-yl)butan-1-amine hydrochloride
3-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
3-methyl-1-(naphthalen-1-yl)butan-1-aminehydrochloride
SCHEMBL17871932
MFCD28126515
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.58
TPSA
26.02
LogP / Solubility
WLOGP
4.31
MLOGP
3.8
XLogP3
4.31
Consensus LogP
4.14
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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