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

C14H22ClNO2 — CID 117226826

IUPAC2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCOc1cccc(CC2(C)NCC(C)CO2)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-11-9-15-14(2,17-10-11)8-12-5-4-6-13(7-12)16-3;/h4-7,11,15H,8-10H2,1-3H3;1H
InChIKeySRYBSBXSZDDHKZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.63
Rot. Bonds3

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

2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117226826) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride
PubChem CID117226826
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCOc1cccc(CC2(C)NCC(C)CO2)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-11-9-15-14(2,17-10-11)8-12-5-4-6-13(7-12)16-3;/h4-7,11,15H,8-10H2,1-3H3;1H
InChIKeySRYBSBXSZDDHKZ-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83823063
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride (CID 117226826) is 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride is COc1cccc(CC2(C)NCC(C)CO2)c1.Cl.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is SRYBSBXSZDDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-11-9-15-14(2,17-10-11)8-12-5-4-6-13(7-12)16-3;/h4-7,11,15H,8-10H2,1-3H3;1H.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride?
2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).