Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1011361-36-6 / 1-(3-methoxyphenyl)cyclopentan-1-amine
1-(3-Methoxyphenyl)cyclopentanamine | 1-(3-methoxyphenyl)-cyclopentanamine | 1-(3-methoxyphenyl)cyclopentan-1-amine
Basic Information
CAS
1011361-36-6
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
COC1=CC=CC(=C1)C2(CCCC2)N
InChI
InChI=1S/C12H17NO/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9H,2-3,7-8,13H2,1H3
InChIKey
RXAGLWIEYMKKCU-UHFFFAOYSA-N
Synonyms
1-(3-Methoxyphenyl)cyclopentanamine
1-(3-methoxyphenyl)-cyclopentanamine
1-(3-methoxyphenyl)cyclopentan-1-amine
MFCD11049196
SCHEMBL17982834
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.33
TPSA
35.25
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
1.8
Consensus LogP
2.12
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.17
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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