ethane;4-methyl-2,3-dihydro-1,4-benzoxazine

C11H17NO — CID 142222866

IUPACethane;4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.CN1CCOc2ccccc21
InChIInChI=1S/C9H11NO.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyXPBJKBKRZXNMTL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.54
Rot. Bonds

About ethane;4-methyl-2,3-dihydro-1,4-benzoxazine

ethane;4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 142222866) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID142222866
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.CN1CCOc2ccccc21
InChIInChI=1S/C9H11NO.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyXPBJKBKRZXNMTL-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
4-methylsulfanyl-2,3-dihydro-1,4-benzoxazine
CID 146777459
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
5-methyl-4H-1,5-benzoxazepin-3-one
CID 83668267
4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82229656

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of ethane;4-methyl-2,3-dihydro-1,4-benzoxazine (CID 142222866) is ethane;4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for ethane;4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for ethane;4-methyl-2,3-dihydro-1,4-benzoxazine is CC.CN1CCOc2ccccc21.
What is the InChIKey of ethane;4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is XPBJKBKRZXNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3-dihydro-1,4-benzoxazine?
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 179.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 142222866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).