[email protected]
CAS 1260854-98-5 3-Methoxy-N-methyl-5-(trifluoromethyl)aniline molecular structure lightbox
CAS RN: 1260854-98-5

3-Methoxy-N-methyl-5-(trifluoromethyl)aniline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 5g Out of stock 5-7 business days Inquiry
  • Product code: LINM901705
GET A QUOTE

1260854-98-5 / 3-methoxy-N-methyl-5-(trifluoromethyl)aniline

Standard CAS: 1260854-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260854-98-5
Multi CAS
No
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
CNC1=CC(=CC(=C1)C(F)(F)F)OC
InChI
InChI=1S/C9H10F3NO/c1-13-7-3-6(9(10,11)12)4-8(5-7)14-2/h3-5,13H,1-2H3
InChIKey
FRHVQFZGEMKTMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.54
TPSA
21.26

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us