[email protected]
CAS 1820687-70-4 1-(5-(Aminomethyl)-2-methoxyphenyl)-N,N-dimethylmethanamine dihydrochloride molecular structure lightbox
CAS RN: 1820687-70-4

1-(5-(Aminomethyl)-2-methoxyphenyl)-N,N-dimethylmethanamine dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1820687-70-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1820687-70-4 / [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;dihydrochloride

Standard CAS: 1820687-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820687-70-4
Multi CAS
No
Molecular Formula
C11H20Cl2N2O
Molecular Weight
267.190000
Exact Mass
266.095269
SMILES
CN(C)CC1=C(C=CC(=C1)CN)OC.Cl.Cl
InChI
InChI=1S/C11H18N2O.2ClH/c1-13(2)8-10-6-9(7-12)4-5-11(10)14-3;;/h4-6H,7-8,12H2,1-3H3;2*1H
InChIKey
FBTOPEIHCHMMAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.77
TPSA
38.49

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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