3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride

C16H24ClNO2 — CID 3079949

IUPAC3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCCOC1(c2ccccc2)CN2CCCCC2CO1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-18-16(14-8-4-3-5-9-14)13-17-11-7-6-10-15(17)12-19-16;/h3-5,8-9,15H,2,6-7,10-13H2,1H3;1H
InChIKeySIMNFXQIWHYWBS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.18
Rot. Bonds3

About 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride

3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 3079949) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID3079949
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCCOC1(c2ccccc2)CN2CCCCC2CO1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-18-16(14-8-4-3-5-9-14)13-17-11-7-6-10-15(17)12-19-16;/h3-5,8-9,15H,2,6-7,10-13H2,1H3;1H
InChIKeySIMNFXQIWHYWBS-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (CID 3079949) is 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is CCOC1(c2ccccc2)CN2CCCCC2CO1.Cl.
What is the InChIKey of 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is SIMNFXQIWHYWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-2-18-16(14-8-4-3-5-9-14)13-17-11-7-6-10-15(17)12-19-16;/h3-5,8-9,15H,2,6-7,10-13H2,1H3;1H.
What are the key properties of 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 3079949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).