Chemical Properties of Doxylamine (CAS 469-21-6)

InChI

InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

InChI Key

HCFDWZZGGLSKEP-UHFFFAOYSA-N

Formula

C17H22N2O

SMILES

CN(C)CCOC(C)(c1ccccc1)c1ccccn1

Molecular Weight¹

270.37

CAS

469-21-6

Other Names

• 2-(«alpha»-(2-(Dimethylamino)ethoxy)-«alpha»-methylbenzyl)pyridine
• 2-(«alpha»-(2-(Dimethylamino)ethoxy)-«alpha»-methylbenzyl)pyridine
• Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
• N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
• NCI C60684
• Phenyl-2-pyridylmethyl-«beta»-N,N-dimethylaminoethyl ether
• Phenyl-2-pyridylmethyl-«beta»-N,N-dimethylaminoethyl ether
• Pyridine, 2-[«alpha»-[2-(dimethylamino)ethoxy]-«alpha»-methylbenzyl]-
• Pyridine, 2-[«alpha»-[2-(dimethylamino)ethoxy]-«alpha»-methylbenzyl]-
• «alpha»-Dimethylaminoethoxyphenylmethyl-2-picoline
• «alpha»-Dimethylaminoethoxyphenylmethyl-2-picoline

• 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	-2.82		Aq. Sol...
logPoct/wat	2.923		Crippen Calculated Property
McVol	228.700	ml/mol	McGowan Calculated Property
Inp	[1888.00; 1968.00]
Inp	1945.00		NIST
Inp	1958.00		NIST
Inp	1925.00		NIST
Inp	1888.00		NIST
Inp	1890.00		NIST
Inp	1915.00		NIST
Inp	1920.00		NIST
Inp	1964.00		NIST
Inp	1888.00		NIST
Inp	1906.00		NIST
Inp	1968.00		NIST
Inp	1890.00		NIST

Similar Compounds

Find more compounds similar to Doxylamine.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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