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CAS 1000550-74-2 2-[4-(Tetrahydropyran-2-yloxy)phenyl]ethylamine molecular structure lightbox
CAS RN: 1000550-74-2

2-[4-(Tetrahydropyran-2-yloxy)phenyl]ethylamine

  • Product code: SSC-000250
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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 1000550-74-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1000550-74-2 / 2-[4-(oxan-2-yloxy)phenyl]ethanamine

2-[4-(Tetrahydropyran-2-yloxy)phenyl]ethylamine | 1000550-74-2 | MFCD09924455

Standard CAS: 1000550-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000550-74-2
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
C1CCOC(C1)OC2=CC=C(C=C2)CCN
InChI
InChI=1S/C13H19NO2/c14-9-8-11-4-6-12(7-5-11)16-13-3-1-2-10-15-13/h4-7,13H,1-3,8-10,14H2
InChIKey
IKOLRHUUOFOGAM-UHFFFAOYSA-N
Synonyms
2-[4-(Tetrahydropyran-2-yloxy)phenyl]ethylamine 1000550-74-2 MFCD09924455 2-[4-(oxan-2-yloxy)phenyl]ethan-1-amine 2-[4-(OXAN-2-YLOXY)PHENYL]ETHANAMINE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.42
TPSA
44.48

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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