8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine

C12H16ClNO — CID 165154481

IUPAC8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)(C)c1c(Cl)ccc2c1OCCN2
InChIInChI=1S/C12H16ClNO/c1-12(2,3)10-8(13)4-5-9-11(10)15-7-6-14-9/h4-5,14H,6-7H2,1-3H3
InChIKeyLEVDTQOBWKHOJH-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.44
Rot. Bonds

About 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine

8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 165154481) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID165154481
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)(C)c1c(Cl)ccc2c1OCCN2
InChIInChI=1S/C12H16ClNO/c1-12(2,3)10-8(13)4-5-9-11(10)15-7-6-14-9/h4-5,14H,6-7H2,1-3H3
InChIKeyLEVDTQOBWKHOJH-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 177141875
6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001894
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
CID 117327782
6,7-ditert-butyl-3,4-dihydro-2H-1,4-benzoxazine
CID 162423996
potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
CID 167725827
8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 135217965
4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
CID 158971605
1-(8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 58909934
[8-(7-diphenylphosphanyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-diphenylphosphane
CID 138623605
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801
2-(4-chloro-3-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 107890399
8-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 94980195

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine (CID 165154481) is 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine is CC(C)(C)c1c(Cl)ccc2c1OCCN2.
What is the InChIKey of 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LEVDTQOBWKHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,3)10-8(13)4-5-9-11(10)15-7-6-14-9/h4-5,14H,6-7H2,1-3H3.
What are the key properties of 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine?
8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 225.72 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 165154481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).