3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine

C15H21NO — CID 20769400

IUPAC3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)=CN1c2ccc(C)c(C)c2OCC1C
InChIInChI=1S/C15H21NO/c1-10(2)8-16-12(4)9-17-15-13(5)11(3)6-7-14(15)16/h6-8,12H,9H2,1-5H3
InChIKeyPLVVQAZPLKSMPI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.81
Rot. Bonds1

About 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine

3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 20769400) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID20769400
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)=CN1c2ccc(C)c(C)c2OCC1C
InChIInChI=1S/C15H21NO/c1-10(2)8-16-12(4)9-17-15-13(5)11(3)6-7-14(15)16/h6-8,12H,9H2,1-5H3
InChIKeyPLVVQAZPLKSMPI-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine (CID 20769400) is 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine is CC(C)=CN1c2ccc(C)c(C)c2OCC1C.
What is the InChIKey of 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is PLVVQAZPLKSMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)8-16-12(4)9-17-15-13(5)11(3)6-7-14(15)16/h6-8,12H,9H2,1-5H3.
What are the key properties of 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine?
3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 231.34 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 20769400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).