4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine

C17H25NO — CID 23269964

IUPAC4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine
SMILESCN1COC(C)(Cc2ccccc2)C2CCCCC21
InChIInChI=1S/C17H25NO/c1-17(12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)13-19-17/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3
InChIKeyYRPXRAAZCSVGMW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds2

About 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine

4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine (PubChem CID 23269964) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine.

Molecular Properties

Compound Name4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine
PubChem CID23269964
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine
SMILESCN1COC(C)(Cc2ccccc2)C2CCCCC21
InChIInChI=1S/C17H25NO/c1-17(12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)13-19-17/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3
InChIKeyYRPXRAAZCSVGMW-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine with MolForge

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Related Compounds

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CID 130712281
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CID 71490768
(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine
CID 90934999
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
(4S,4aS,8aR)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 6543208
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
5-benzyl-5-[(E)-3-cyclohexylprop-2-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10498480
[(4R,4aR,8aS)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] acetate
CID 6543773
(3S,6R)-7-benzyl-1,3,6-trimethyl-2,4,5,10-tetraoxatricyclo[4.3.1.03,7]decane
CID 57337092
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
2-benzyl-3-ethyloxiran-2-ol
CID 141291266

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine?
The IUPAC name of 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine (CID 23269964) is 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine.
What is the SMILES notation for 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine?
The canonical SMILES for 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine is CN1COC(C)(Cc2ccccc2)C2CCCCC21.
What is the InChIKey of 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine?
The InChIKey is YRPXRAAZCSVGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)13-19-17/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3.
What are the key properties of 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine?
4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine is sourced from PubChem (CID 23269964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).