4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine

C18H27NO — CID 20813394

IUPAC4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine
SMILESCCC(CC(C)C1=NC(C)(C)CCO1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-15(16-9-7-6-8-10-16)13-14(2)17-19-18(3,4)11-12-20-17/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCBUNCCHEBKPJBR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.80
Rot. Bonds5

About 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine

4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine (PubChem CID 20813394) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine
PubChem CID20813394
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine
SMILESCCC(CC(C)C1=NC(C)(C)CCO1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-15(16-9-7-6-8-10-16)13-14(2)17-19-18(3,4)11-12-20-17/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCBUNCCHEBKPJBR-UHFFFAOYSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-benzyl-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine
CID 98984
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
5-Fluoro-5-methyl-3-(1-phenylethyl)-4,6-dihydrooxazine
CID 177855900
3,4,4,6-Tetramethyl-2-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazin-3-ium iodide
CID 24193926
2-benzyl-5,6-dihydro-4H-1,3-oxazine
CID 10702404
Ethyl 4-phenylbutanimidate
CID 15343276
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
6-Ethoxy-3-(2-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 20190691
5,6-dihydro-4,4,6-trimethyl-2-[2-(4-fluorophenyl)ethyl]-4H-1,3-oxazine
CID 21314023

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine (CID 20813394) is 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine is CCC(CC(C)C1=NC(C)(C)CCO1)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine?
The InChIKey is CBUNCCHEBKPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-15(16-9-7-6-8-10-16)13-14(2)17-19-18(3,4)11-12-20-17/h6-10,14-15H,5,11-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine?
4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine has a molecular weight of 273.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 20813394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).