[email protected]
CAS 14115-06-1 2-(3-(dimethylamino)propoxy)-5-(trifluoromethyl)benzenamine molecular structure lightbox
CAS RN: 14115-06-1

2-(3-(dimethylamino)propoxy)-5-(trifluoromethyl)benzenamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14115-06-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

14115-06-1 / 2-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)aniline

Standard CAS: 14115-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14115-06-1
Multi CAS
No
Molecular Formula
C12H17F3N2O
Molecular Weight
262.270000
Exact Mass
262.129298
SMILES
CN(C)CCCOC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C12H17F3N2O/c1-17(2)6-3-7-18-11-5-4-9(8-10(11)16)12(13,14)15/h4-5,8H,3,6-7,16H2,1-2H3
InChIKey
KEGXJFRXIWKCST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.52
TPSA
38.49

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us