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CAS 103-39-9 2-[(1-methyl-2-phenoxyethyl)amino]ethanol molecular structure lightbox
CAS RN: 103-39-9

2-[(1-methyl-2-phenoxyethyl)amino]ethanol

  • Product code: SSC-004396
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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 103-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

103-39-9 / 2-(1-phenoxypropan-2-ylamino)ethanol

2-((1-Phenoxypropan-2-yl)amino)ethanol | 2-[(1-methyl-2-phenoxyethyl)amino]ethanol | FU3NQ58LUH

Standard CAS: 103-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103-39-9
Multi CAS
Yes
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(COC1=CC=CC=C1)NCCO
InChI
InChI=1S/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKey
RANHEEPQMBBPKB-UHFFFAOYSA-N
Synonyms
2-((1-Phenoxypropan-2-yl)amino)ethanol 2-[(1-methyl-2-phenoxyethyl)amino]ethanol FU3NQ58LUH 2-[(1-phenoxypropan-2-yl)amino]ethanol 2-((1-Methyl-2-phenoxyethyl)amino)ethanol

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.49
TPSA
41.49

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.51
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)
-3.18

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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