![CAS 1048343-64-1 2-[2-Methyl-7-(trifluoromethyl)-1h-indol-3-yl]ethanamine, HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1048343-64-1.gif)
CAS RN: 1048343-64-1
2-[2-Methyl-7-(trifluoromethyl)-1h-indol-3-yl]ethanamine, HCl
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1048343-64-1
- Purity/Analytical Methods: >99.0%
1048343-64-1 / 2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethanamine;hydrochloride
2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethanamine hydrochloride | C12H14ClF3N2 | 2-[2-Methyl-7-(trifluoromethyl)-1h-indol-3-yl]ethanamine, HCl
Basic Information
CAS
1048343-64-1
Multi CAS
Yes
Molecular Formula
C12H14ClF3N2
Molecular Weight
278.700000
Exact Mass
278.079761
SMILES
CC1=C(C2=C(N1)C(=CC=C2)C(F)(F)F)CCN.Cl
InChI
InChI=1S/C12H13F3N2.ClH/c1-7-8(5-6-16)9-3-2-4-10(11(9)17-7)12(13,14)15;/h2-4,17H,5-6,16H2,1H3;1H
InChIKey
XNDORQLPOLINRM-UHFFFAOYSA-N
Synonyms
2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethanamine hydrochloride
C12H14ClF3N2
2-[2-Methyl-7-(trifluoromethyl)-1h-indol-3-yl]ethanamine, HCl
MFCD02615246
2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
68.04
TPSA
41.81
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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