[email protected]
CAS 1394291-48-5 2-Bromo-5-methoxy-N,N-diethylbenzylamine molecular structure lightbox
CAS RN: 1394291-48-5

2-Bromo-5-methoxy-N,N-diethylbenzylamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1394291-48-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1394291-48-5 / N-[(2-bromo-5-methoxyphenyl)methyl]-N-ethylethanamine

Standard CAS: 1394291-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394291-48-5
Multi CAS
No
Molecular Formula
C12H18BrNO
Molecular Weight
272.180000
Exact Mass
271.057180
SMILES
CCN(CC)CC1=C(C=CC(=C1)OC)Br
InChI
InChI=1S/C12H18BrNO/c1-4-14(5-2)9-10-8-11(15-3)6-7-12(10)13/h6-8H,4-5,9H2,1-3H3
InChIKey
AXKZYMIKXPAOKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
67.32
TPSA
12.47

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us