8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane

C12H20BrNO — CID 177141875

IUPAC8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
SMILESBrc1cccc2c1OCCN2.CC.CC
InChIInChI=1S/C8H8BrNO.2C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;2*1-2/h1-3,10H,4-5H2;2*1-2H3
InChIKeyGMZAAIGADQQAJO-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.31
Rot. Bonds

About 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane

8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane (PubChem CID 177141875) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane.

Molecular Properties

Compound Name8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
PubChem CID177141875
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
SMILESBrc1cccc2c1OCCN2.CC.CC
InChIInChI=1S/C8H8BrNO.2C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;2*1-2/h1-3,10H,4-5H2;2*1-2H3
InChIKeyGMZAAIGADQQAJO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 135217965
potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
CID 167725827
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 46907963
8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 165154481
N'-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994290
N-(3-bromo-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 104778252
1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
CID 84636424
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
methyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
CID 175626088
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
CID 116610704

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The IUPAC name of 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane (CID 177141875) is 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane.
What is the SMILES notation for 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The canonical SMILES for 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane is Brc1cccc2c1OCCN2.CC.CC.
What is the InChIKey of 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The InChIKey is GMZAAIGADQQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.2C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;2*1-2/h1-3,10H,4-5H2;2*1-2H3.
What are the key properties of 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane?
8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane has a molecular weight of 274.20 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane is sourced from PubChem (CID 177141875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).