![CAS 1094720-06-5 [2-(Propoxymethyl)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094720-06-5.gif)
CAS RN: 1094720-06-5
[2-(Propoxymethyl)phenyl]methanamine
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.20260411 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1094720-06-5
- Purity/Analytical Methods: >99.0%
1094720-06-5 / [2-(propoxymethyl)phenyl]methanamine
[2-(propoxymethyl)phenyl]methanamine | (2-(Propoxymethyl)phenyl)methanamine | MFCD11619122
Basic Information
CAS
1094720-06-5
Multi CAS
No
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
SMILES
CCCOCC1=CC=CC=C1CN
InChI
InChI=1S/C11H17NO/c1-2-7-13-9-11-6-4-3-5-10(11)8-12/h3-6H,2,7-9,12H2,1H3
InChIKey
ASLMOIVIRNCRJE-UHFFFAOYSA-N
Synonyms
[2-(propoxymethyl)phenyl]methanamine
(2-(Propoxymethyl)phenyl)methanamine
MFCD11619122
1-[2-(PROPOXYMETHYL)PHENYL]METHANAMINE
AKOS009396578
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.28
TPSA
35.25
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.3
Consensus LogP
1.73
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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