Chemical Properties of Clemastine (CAS 15686-51-8)

InChI

InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3

InChI Key

YNNUSGIPVFPVBX-UHFFFAOYSA-N

Formula

C21H26ClNO

SMILES

CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1

Molecular Weight¹

343.89

CAS

15686-51-8

Other Names

• Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,R*)]-
• (+)-(2R)-2-[2-[[(R)-p-Chloro-«alpha»-methyl-«alpha»-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine
• Meclastine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	5.104		Crippen Calculated Property
McVol	276.460	ml/mol	McGowan Calculated Property
Inp	[2415.00; 2446.00]
Inp	2420.00		NIST
Inp	Outlier 2446.00		NIST
Inp	2420.00		NIST
Inp	2430.00		NIST
Inp	2415.00		NIST
Inp	2420.00		NIST

Similar Compounds

Find more compounds similar to Clemastine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.