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

C17H26BrNO2 — CID 3079951

IUPAC3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide
SMILESBr.CCCOC1(c2ccccc2)CN2CCCCC2CO1
InChIInChI=1S/C17H25NO2.BrH/c1-2-12-19-17(15-8-4-3-5-9-15)14-18-11-7-6-10-16(18)13-20-17;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H
InChIKeyXSVPGFRAMPZORF-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.73
Rot. Bonds4

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

3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide (PubChem CID 3079951) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide.

Molecular Properties

Compound Name3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide
PubChem CID3079951
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide
SMILESBr.CCCOC1(c2ccccc2)CN2CCCCC2CO1
InChIInChI=1S/C17H25NO2.BrH/c1-2-12-19-17(15-8-4-3-5-9-15)14-18-11-7-6-10-16(18)13-20-17;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H
InChIKeyXSVPGFRAMPZORF-UHFFFAOYSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide?
The IUPAC name of 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide (CID 3079951) is 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide.
What is the SMILES notation for 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide?
The canonical SMILES for 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide is Br.CCCOC1(c2ccccc2)CN2CCCCC2CO1.
What is the InChIKey of 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide?
The InChIKey is XSVPGFRAMPZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.BrH/c1-2-12-19-17(15-8-4-3-5-9-15)14-18-11-7-6-10-16(18)13-20-17;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H.
What are the key properties of 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide?
3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide has a molecular weight of 356.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide is sourced from PubChem (CID 3079951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).