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CAS 101-45-1 2-[benzyl(1-methyl-2-phenoxyethyl)amino]ethanol molecular structure lightbox
CAS RN: 101-45-1

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

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 10mg Out of stock 15 business days Inquiry
  • Product code: SSC-001818
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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 101-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101-45-1 / 2-[benzyl(1-phenoxypropan-2-yl)amino]ethanol

2-[BENZYL(1-METHYL-2-PHENOXYETHYL)AMINO]ETHANOL | 2-[benzyl(1-phenoxypropan-2-yl)amino]ethanol | Dibenzyline alcohol

Standard CAS: 101-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101-45-1
Multi CAS
Yes
Molecular Formula
C18H23NO2
Molecular Weight
285.400000
Exact Mass
285.172879
SMILES
CC(COC1=CC=CC=C1)N(CCO)CC2=CC=CC=C2
InChI
InChI=1S/C18H23NO2/c1-16(15-21-18-10-6-3-7-11-18)19(12-13-20)14-17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3
InChIKey
LYNJRXJVOBYDCM-UHFFFAOYSA-N
Synonyms
2-[BENZYL(1-METHYL-2-PHENOXYETHYL)AMINO]ETHANOL 2-[benzyl(1-phenoxypropan-2-yl)amino]ethanol Dibenzyline alcohol Phenoxybenzamine Hydroxide 2-[Benzyl(1-phenoxypropan-2-yl)amino]ethan-1-ol

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.34
TPSA
32.7

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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