CAS RN: 1147199-72-1
2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine:hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1147199-72-1
- Purity/Analytical Methods: >99.0%
1147199-72-1 / 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
2-[5-(BENZYLOXY)-2-METHYL-1H-INDOL-3-YL]ETHANAMINE HYDROCHLORIDE | 2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)ethanaminehydrochloride | 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
Basic Information
CAS
1147199-72-1
Multi CAS
No
Molecular Formula
C18H21ClN2O
Molecular Weight
316.800000
Exact Mass
316.134241
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCN.Cl
InChI
InChI=1S/C18H20N2O.ClH/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14;/h2-8,11,20H,9-10,12,19H2,1H3;1H
InChIKey
FMWOWTNPQWIRQN-UHFFFAOYSA-N
Synonyms
2-[5-(BENZYLOXY)-2-METHYL-1H-INDOL-3-YL]ETHANAMINE HYDROCHLORIDE
2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)ethanaminehydrochloride
2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine hydrochloride
MLS001195242
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
93.82
TPSA
51.04
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
3.98
Consensus LogP
3.82
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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