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CAS 1212128-58-9 (1R)-1-(4-ISOPROPOXYPHENYL)ETHANAMINE molecular structure lightbox
CAS RN: 1212128-58-9

(1R)-1-(4-ISOPROPOXYPHENYL)ETHANAMINE

  • Product code: SSC-022977
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1212128-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1212128-58-9 / (1R)-1-(4-propan-2-yloxyphenyl)ethanamine

1-[4-(propan-2-yloxy)phenyl]ethan-1-amine | 1-(4-(propan-2-yloxy)phenyl)ethan-1-amine | RefChem:424496

Standard CAS: 1212128-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212128-58-9
Multi CAS
Yes
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
SMILES
C[C@H](C1=CC=C(C=C1)OC(C)C)N
InChI
InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1
InChIKey
QDLPHPPYMUBDRB-SECBINFHSA-N
Synonyms
1-[4-(propan-2-yloxy)phenyl]ethan-1-amine 1-(4-(propan-2-yloxy)phenyl)ethan-1-amine RefChem:424496 866-141-2 1-(4-Isopropoxy-phenyl)-ethylamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.81
TPSA
35.25

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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