4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride

C19H22ClNO — CID 3063222

IUPAC4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride
SMILESCC1CC(C)(C)N=C(C=Cc2cccc3ccccc23)O1.Cl
InChIInChI=1S/C19H21NO.ClH/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16;/h4-12,14H,13H2,1-3H3;1H
InChIKeyGSGRNHYWBRJJNZ-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.26
Rot. Bonds2

About 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride

4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride (PubChem CID 3063222) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride.

Molecular Properties

Compound Name4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride
PubChem CID3063222
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride
SMILESCC1CC(C)(C)N=C(C=Cc2cccc3ccccc23)O1.Cl
InChIInChI=1S/C19H21NO.ClH/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16;/h4-12,14H,13H2,1-3H3;1H
InChIKeyGSGRNHYWBRJJNZ-UHFFFAOYSA-N
XLogP5.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,3-Oxazine, 5,6-dihydro-2-(2-(1-naphthalenyl)ethenyl)-4,4,6-trimethyl-, hydrochloride, (E)-
CID 6447780
4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine
CID 6447781
4,4,6-Trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine
CID 15340756
4,4,6-Trimethyl-2-(1-naphthalen-1-ylethyl)-5,6-dihydro-1,3-oxazine
CID 15340757
4,4,6-Trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine
CID 3063223
4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
CID 9547828
(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
CID 25010936
4,4-Dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine
CID 100923139

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride?
The IUPAC name of 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride (CID 3063222) is 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride.
What is the SMILES notation for 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride?
The canonical SMILES for 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride is CC1CC(C)(C)N=C(C=Cc2cccc3ccccc23)O1.Cl.
What is the InChIKey of 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride?
The InChIKey is GSGRNHYWBRJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16;/h4-12,14H,13H2,1-3H3;1H.
What are the key properties of 4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride?
4,4,6-trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 5.26, 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-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride is sourced from PubChem (CID 3063222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).