6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C10H13NO — CID 20571249

IUPAC6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1C)OCCN2
InChIInChI=1S/C10H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5-6,11H,3-4H2,1-2H3
InChIKeyYGNLKRZOQKGQLJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.11
Rot. Bonds

About 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 20571249) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID20571249
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1C)OCCN2
InChIInChI=1S/C10H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5-6,11H,3-4H2,1-2H3
InChIKeyYGNLKRZOQKGQLJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4,6,7,8,9-hexahydro-2H-naphtho[2,3-b][1,4]oxazine
CID 11747682
12H-Benzo[b]phenoxazine
CID 266947
4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 43811105
8-Methoxy-1,2,3,4-tetrahydroquinoline
CID 5200345
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 11064673
(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 44411564
(6-t-Butyl-3,4-dihydro-2h-benzo[b][1,4]oxazin-3-yl) methanol
CID 44411568
4-[2-[(dimethylamino)methyl]phenyl]-N-(4-piperidin-1-ylbutyl)-2-(2-piperidin-1-ylethoxy)aniline
CID 145986652
4-[2-[(dimethylamino)methyl]phenyl]-2-(2-piperidin-1-ylethoxy)-N-(2-piperidin-1-ylethyl)aniline
CID 145988915
4-[2-[(dimethylamino)methyl]phenyl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
CID 145991917

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 20571249) is 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc2c(cc1C)OCCN2.
What is the InChIKey of 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YGNLKRZOQKGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 20571249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).