6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

C13H19NO — CID 82230386

IUPAC6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C13H19NO/c1-8(2)12-7-14-11-6-9(3)5-10(4)13(11)15-12/h5-6,8,12,14H,7H2,1-4H3
InChIKeyGIOLTSCFBCNJNO-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.13
Rot. Bonds1

About 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82230386) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82230386
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C13H19NO/c1-8(2)12-7-14-11-6-9(3)5-10(4)13(11)15-12/h5-6,8,12,14H,7H2,1-4H3
InChIKeyGIOLTSCFBCNJNO-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 82230386) is 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c2c(c1)NCC(C(C)C)O2.
What is the InChIKey of 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GIOLTSCFBCNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)12-7-14-11-6-9(3)5-10(4)13(11)15-12/h5-6,8,12,14H,7H2,1-4H3.
What are the key properties of 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 205.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82230386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).