3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide

C20H24BrNO — CID 155512320

IUPAC3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide
SMILESBr.c1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1
InChIInChI=1S/C20H23NO.BrH/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20;/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2;1H
InChIKeyPWXHGRPEASKDIF-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.86
Rot. Bonds2

About 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide

3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide (PubChem CID 155512320) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide
PubChem CID155512320
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide
SMILESBr.c1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1
InChIInChI=1S/C20H23NO.BrH/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20;/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2;1H
InChIKeyPWXHGRPEASKDIF-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide with MolForge

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Related Compounds

(3S,7R,8aS)-N-cyclopentyl-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155505223
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
CID 105244973
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
CID 174695572
(3R)-3-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 154782566
2-phenyloxirane
CID 7276
4-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-phenylphenyl)morpholine
CID 155405830
(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine-3-carbonitrile
CID 97297887
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[cyclopentyl(methyl)amino]acetamide
CID 155506593

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide?
The IUPAC name of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide (CID 155512320) is 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide.
What is the SMILES notation for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide?
The canonical SMILES for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide is Br.c1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide?
The InChIKey is PWXHGRPEASKDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.BrH/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20;/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2;1H.
What are the key properties of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide?
3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide has a molecular weight of 374.32 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrobromide is sourced from PubChem (CID 155512320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).