2-[(2-methylphenyl)methyl]-1,3-oxazinane

C12H17NO — CID 117226029

IUPAC2-[(2-methylphenyl)methyl]-1,3-oxazinane
SMILESCc1ccccc1CC1NCCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)9-12-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyHSLRGMJFOWBYJO-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.87
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-1,3-oxazinane

2-[(2-methylphenyl)methyl]-1,3-oxazinane (PubChem CID 117226029) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1,3-oxazinane.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1,3-oxazinane
PubChem CID117226029
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(2-methylphenyl)methyl]-1,3-oxazinane
SMILESCc1ccccc1CC1NCCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)9-12-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyHSLRGMJFOWBYJO-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,3-oxazepane
CID 67179669
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
CID 117228287
(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane
CID 53255147
2-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,3-diazinane
CID 142160931
2-[(2-methylphenyl)methyl]pyrrolidin-3-one
CID 83829267
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
(2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium
CID 7022791
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1,3-oxazinane?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1,3-oxazinane (CID 117226029) is 2-[(2-methylphenyl)methyl]-1,3-oxazinane.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1,3-oxazinane?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1,3-oxazinane is Cc1ccccc1CC1NCCCO1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1,3-oxazinane?
The InChIKey is HSLRGMJFOWBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)9-12-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-1,3-oxazinane?
2-[(2-methylphenyl)methyl]-1,3-oxazinane has a molecular weight of 191.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-1,3-oxazinane is sourced from PubChem (CID 117226029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).