6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride

C14H18ClNO2 — CID 70082574

IUPAC6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride
SMILESCCOc1ccc(C2=CC=C(C)N(C)O2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-4-16-13-8-6-12(7-9-13)14-10-5-11(2)15(3)17-14;/h5-10H,4H2,1-3H3;1H
InChIKeyYVXHCWFTAJREOA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.63
Rot. Bonds3

About 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride

6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride (PubChem CID 70082574) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride
PubChem CID70082574
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride
SMILESCCOc1ccc(C2=CC=C(C)N(C)O2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-4-16-13-8-6-12(7-9-13)14-10-5-11(2)15(3)17-14;/h5-10H,4H2,1-3H3;1H
InChIKeyYVXHCWFTAJREOA-UHFFFAOYSA-N
XLogP3.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
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CID 75527903
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride?
The IUPAC name of 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride (CID 70082574) is 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride?
The canonical SMILES for 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride is CCOc1ccc(C2=CC=C(C)N(C)O2)cc1.Cl.
What is the InChIKey of 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride?
The InChIKey is YVXHCWFTAJREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-4-16-13-8-6-12(7-9-13)14-10-5-11(2)15(3)17-14;/h5-10H,4H2,1-3H3;1H.
What are the key properties of 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride?
6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride is sourced from PubChem (CID 70082574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).