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

C13H20ClNO2 — CID 117226870

IUPAC2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride
SMILESCOc1ccccc1CC1NCC(C)CO1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-8-14-13(16-9-10)7-11-5-3-4-6-12(11)15-2;/h3-6,10,13-14H,7-9H2,1-2H3;1H
InChIKeyICUAIRKVMBHETM-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.24
Rot. Bonds3

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

2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride (PubChem CID 117226870) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride
PubChem CID117226870
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride
SMILESCOc1ccccc1CC1NCC(C)CO1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-8-14-13(16-9-10)7-11-5-3-4-6-12(11)15-2;/h3-6,10,13-14H,7-9H2,1-2H3;1H
InChIKeyICUAIRKVMBHETM-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
4-[(5-methyl-1,3-oxazinan-2-yl)methyl]phenol
CID 117226917
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
(4R)-2-[(2-methoxyphenyl)methoxy]-4-methyloxolane
CID 155795428
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094665
2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one
CID 159994511
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115032711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride (CID 117226870) is 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride is COc1ccccc1CC1NCC(C)CO1.Cl.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride?
The InChIKey is ICUAIRKVMBHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-10-8-14-13(16-9-10)7-11-5-3-4-6-12(11)15-2;/h3-6,10,13-14H,7-9H2,1-2H3;1H.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride?
2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.24, 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]-5-methyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).