4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine

C18H21NO — CID 15340756

IUPAC4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(Cc2cccc3ccccc23)O1
InChIInChI=1S/C18H21NO/c1-13-12-18(2,3)19-17(20-13)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3
InChIKeyCIZXLMBPUMPBAL-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.37
Rot. Bonds2

About 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine

4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine (PubChem CID 15340756) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine
PubChem CID15340756
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(Cc2cccc3ccccc23)O1
InChIInChI=1S/C18H21NO/c1-13-12-18(2,3)19-17(20-13)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3
InChIKeyCIZXLMBPUMPBAL-UHFFFAOYSA-N
XLogP4.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561574
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881548
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881682
4H-1,3-Oxazine, 5,6-dihydro-2-(2-(1-naphthalenyl)ethenyl)-4,4,6-trimethyl-, hydrochloride, (E)-
CID 6447780
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585993
Ethyl 2-naphthalen-2-ylethanimidate
CID 12713953
Ethyl 2-(naphthalen-1-yl)ethanecarboximidate hydrochloride
CID 12317288
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
CID 139090329
4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine
CID 6447781
4,4,6-Trimethyl-2-(2-phenylpropan-2-yl)-5,6-dihydro-1,3-oxazine
CID 289253
4,4,6-Trimethyl-2-(2-phenylheptan-2-yl)-5,6-dihydro-1,3-oxazine
CID 289254

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine (CID 15340756) is 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(Cc2cccc3ccccc23)O1.
What is the InChIKey of 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine?
The InChIKey is CIZXLMBPUMPBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-12-18(2,3)19-17(20-13)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine?
4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine has a molecular weight of 267.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 15340756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).