2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane

C15H23NO2 — CID 117226883

IUPAC2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
SMILESCOc1ccccc1CC1(C)NCC(C)(C)CO1
InChIInChI=1S/C15H23NO2/c1-14(2)10-16-15(3,18-11-14)9-12-7-5-6-8-13(12)17-4/h5-8,16H,9-11H2,1-4H3
InChIKeyWFILURPKHHDHIE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane

2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane (PubChem CID 117226883) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
PubChem CID117226883
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
SMILESCOc1ccccc1CC1(C)NCC(C)(C)CO1
InChIInChI=1S/C15H23NO2/c1-14(2)10-16-15(3,18-11-14)9-12-7-5-6-8-13(12)17-4/h5-8,16H,9-11H2,1-4H3
InChIKeyWFILURPKHHDHIE-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
CID 117226881
2-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228325
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79928571
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367
5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 114239606
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 66465553
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane (CID 117226883) is 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane is COc1ccccc1CC1(C)NCC(C)(C)CO1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The InChIKey is WFILURPKHHDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2)10-16-15(3,18-11-14)9-12-7-5-6-8-13(12)17-4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane has a molecular weight of 249.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane is sourced from PubChem (CID 117226883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).