2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane

C14H21NO2 — CID 117226923

IUPAC2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCOc1ccc(CC2(C)NCC(C)CO2)cc1
InChIInChI=1S/C14H21NO2/c1-11-9-15-14(2,17-10-11)8-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHKRBZFUMXAJNRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane

2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane (PubChem CID 117226923) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane
PubChem CID117226923
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCOc1ccc(CC2(C)NCC(C)CO2)cc1
InChIInChI=1S/C14H21NO2/c1-11-9-15-14(2,17-10-11)8-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHKRBZFUMXAJNRK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
CID 175415747
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169661
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
(1S,6R)-1-[(4-methoxyphenyl)methyl]-3-methylbicyclo[4.1.0]heptane
CID 177443332
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane
CID 163958055
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane (CID 117226923) is 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane is COc1ccc(CC2(C)NCC(C)CO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The InChIKey is HKRBZFUMXAJNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-15-14(2,17-10-11)8-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane is sourced from PubChem (CID 117226923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).