(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine

C12H17NO2 — CID 58740905

IUPAC(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccc(C)cc2O1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11-12(6-9)15-10(8-14-3)7-13(11)2/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1
InChIKeySDMYDEANJPEJEM-SNVBAGLBSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds2

About (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine

(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 58740905) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID58740905
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccc(C)cc2O1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11-12(6-9)15-10(8-14-3)7-13(11)2/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1
InChIKeySDMYDEANJPEJEM-SNVBAGLBSA-N
XLogP1.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine (CID 58740905) is (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine is COC[C@H]1CN(C)c2ccc(C)cc2O1.
What is the InChIKey of (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SDMYDEANJPEJEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11-12(6-9)15-10(8-14-3)7-13(11)2/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 207.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 58740905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).