ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine

C14H23NO — CID 91294862

IUPACethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.Cc1ccc2c(c1)OC(C)C(C)N2C
InChIInChI=1S/C12H17NO.C2H6/c1-8-5-6-11-12(7-8)14-10(3)9(2)13(11)4;1-2/h5-7,9-10H,1-4H3;1-2H3
InChIKeyABEAYBGFDNAOEZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.63
Rot. Bonds

About ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine

ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 91294862) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID91294862
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.Cc1ccc2c(c1)OC(C)C(C)N2C
InChIInChI=1S/C12H17NO.C2H6/c1-8-5-6-11-12(7-8)14-10(3)9(2)13(11)4;1-2/h5-7,9-10H,1-4H3;1-2H3
InChIKeyABEAYBGFDNAOEZ-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 83752703
(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
CID 139325985
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83907388
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84643450
2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 84643449
3,6-dimethyl-11-phenyl-6H-benzo[b][4,1]benzoxazepine
CID 129207744
2-[(2S)-2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 94063588
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 53016064
1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine (CID 91294862) is ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine is CC.Cc1ccc2c(c1)OC(C)C(C)N2C.
What is the InChIKey of ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ABEAYBGFDNAOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-8-5-6-11-12(7-8)14-10(3)9(2)13(11)4;1-2/h5-7,9-10H,1-4H3;1-2H3.
What are the key properties of ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine?
ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 221.34 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 91294862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).