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CAS 1081548-91-5 (1R,2R)-2-(methylamino)-1-phenyl-Benzeneethanol molecular structure lightbox
CAS RN: 1081548-91-5

(1R,2R)-2-(methylamino)-1-phenyl-Benzeneethanol

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 100mg In stock Tianjin Inquiry
Batchno.20251221 100mg / 250mg Confirm by inquiry Shandong Inquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20250122 250mg Out of stock Inquiry
  • Product code: SSC-009399
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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: 0.25g
  • Available purity: ＞97%
  • 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 1081548-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1081548-91-5 / (1R,2R)-2-(methylamino)-1,2-diphenylethanol

MDPE | N-Methyl-1,2-diphenylethanolamine | RefChem:163674

Standard CAS: 1081548-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1081548-91-5
Multi CAS
Yes
Molecular Formula
C15H17NO
Molecular Weight
227.300000
Exact Mass
227.131014
SMILES
CN[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3/t14-,15-/m1/s1
InChIKey
BLDFSDCBQJUWFG-HUUCEWRRSA-N
Synonyms
MDPE N-Methyl-1,2-diphenylethanolamine RefChem:163674 (1R,2S)-1,2-Diphenyl-2-(methylamino)ethanol 2-(methylamino)-1,2-diphenylethanol

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.64
TPSA
32.26

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.2
Consensus LogP
2.41
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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