(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C11H15NO2 — CID 58740927

IUPAC(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-12-7-9(8-13-2)14-11-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyJWIILAUNGBEUCQ-SECBINFHSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds2

About (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 58740927) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID58740927
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-12-7-9(8-13-2)14-11-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyJWIILAUNGBEUCQ-SECBINFHSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane
CID 158115173
(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 58628151
methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 157326649
(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 159298384
[6-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]-3-pyridinyl]methanediol
CID 163481006
benzyl (2R)-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 22882600
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl chloride
CID 86609831
(Z)-2-ethoxy-3-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]prop-2-enal
CID 89293005
4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonitrile
CID 12826553

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 58740927) is (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is COC[C@H]1CN(C)c2ccccc2O1.
What is the InChIKey of (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JWIILAUNGBEUCQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-7-9(8-13-2)14-11-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 193.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 58740927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).