2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine

C12H18N2O — CID 82230487

IUPAC2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine
SMILESCc1cc(C)c2c(c1N)OC(C)CN2C
InChIInChI=1S/C12H18N2O/c1-7-5-8(2)11-12(10(7)13)15-9(3)6-14(11)4/h5,9H,6,13H2,1-4H3
InChIKeyLCSHZLYGZWYVDJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.10
Rot. Bonds

About 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine

2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine (PubChem CID 82230487) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine
PubChem CID82230487
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine
SMILESCc1cc(C)c2c(c1N)OC(C)CN2C
InChIInChI=1S/C12H18N2O/c1-7-5-8(2)11-12(10(7)13)15-9(3)6-14(11)4/h5,9H,6,13H2,1-4H3
InChIKeyLCSHZLYGZWYVDJ-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine?
The IUPAC name of 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine (CID 82230487) is 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine.
What is the SMILES notation for 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine?
The canonical SMILES for 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine is Cc1cc(C)c2c(c1N)OC(C)CN2C.
What is the InChIKey of 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine?
The InChIKey is LCSHZLYGZWYVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-5-8(2)11-12(10(7)13)15-9(3)6-14(11)4/h5,9H,6,13H2,1-4H3.
What are the key properties of 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine?
2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine has a molecular weight of 206.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine is sourced from PubChem (CID 82230487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).