CAS RN: 112211-92-4
(R)-2-Isopropylamino-2-phenylethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250605 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTI0476
- Purity/Analytical Methods: >98.0%(GC)(T)
112211-92-4 / (2R)-2-phenyl-2-(propan-2-ylamino)ethanol
2-phenyl-2-[(propan-2-yl)amino]ethan-1-ol | SCHEMBL14454181 | 2-(isopropylamino)-2-phenyl-ethanol
Basic Information
CAS
112211-92-4
Multi CAS
Yes
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
SMILES
CC(C)N[C@@H](CO)C1=CC=CC=C1
InChI
InChI=1S/C11H17NO/c1-9(2)12-11(8-13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-/m0/s1
InChIKey
XFSCVCVPECOHBL-NSHDSACASA-N
Synonyms
2-phenyl-2-[(propan-2-yl)amino]ethan-1-ol
SCHEMBL14454181
2-(isopropylamino)-2-phenyl-ethanol
AKOS009159064
SB45281
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.54
TPSA
32.26
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
