4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine

C15H23NO — CID 176694445

IUPAC4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1cc2c(cc1C(C)C)N(C)CCO2
InChIInChI=1S/C15H23NO/c1-10(2)12-8-14-15(9-13(12)11(3)4)17-7-6-16(14)5/h8-11H,6-7H2,1-5H3
InChIKeyRPNMZYABYAKMAZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.76
Rot. Bonds2

About 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine

4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 176694445) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
PubChem CID176694445
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1cc2c(cc1C(C)C)N(C)CCO2
InChIInChI=1S/C15H23NO/c1-10(2)12-8-14-15(9-13(12)11(3)4)17-7-6-16(14)5/h8-11H,6-7H2,1-5H3
InChIKeyRPNMZYABYAKMAZ-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82230481
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 146618626
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
CID 162748786
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine (CID 176694445) is 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine is CC(C)c1cc2c(cc1C(C)C)N(C)CCO2.
What is the InChIKey of 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is RPNMZYABYAKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)12-8-14-15(9-13(12)11(3)4)17-7-6-16(14)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine?
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 233.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 176694445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).