methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine

C13H21NO2 — CID 157326649

IUPACmethane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESC.COC[C@H]1CN(C)c2cccc(C)c2O1
InChIInChI=1S/C12H17NO2.CH4/c1-9-5-4-6-11-12(9)15-10(8-14-3)7-13(11)2;/h4-6,10H,7-8H2,1-3H3;1H4/t10-;/m1./s1
InChIKeyBEUNTGUSMGHDPX-HNCPQSOCSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds2

About methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine

methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 157326649) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Namemethane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID157326649
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namemethane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESC.COC[C@H]1CN(C)c2cccc(C)c2O1
InChIInChI=1S/C12H17NO2.CH4/c1-9-5-4-6-11-12(9)15-10(8-14-3)7-13(11)2;/h4-6,10H,7-8H2,1-3H3;1H4/t10-;/m1./s1
InChIKeyBEUNTGUSMGHDPX-HNCPQSOCSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine (CID 157326649) is methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine is C.COC[C@H]1CN(C)c2cccc(C)c2O1.
What is the InChIKey of methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is BEUNTGUSMGHDPX-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17NO2.CH4/c1-9-5-4-6-11-12(9)15-10(8-14-3)7-13(11)2;/h4-6,10H,7-8H2,1-3H3;1H4/t10-;/m1./s1.
What are the key properties of methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine?
methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 223.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 157326649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).