[email protected]
CAS 1420684-64-5 1-(2,6-dimethylphenyl)ethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1420684-64-5

1-(2,6-dimethylphenyl)ethan-1-amine hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1420684-64-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1420684-64-5 / 1-(2,6-dimethylphenyl)ethanamine;hydrochloride

Standard CAS: 1420684-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420684-64-5
Multi CAS
No
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CC1=C(C(=CC=C1)C)C(C)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-7-5-4-6-8(2)10(7)9(3)11;/h4-6,9H,11H2,1-3H3;1H
InChIKey
JQVDNTMMKLGBLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.77
TPSA
26.02

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us