6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

C13H20N2O — CID 82231064

IUPAC6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCC1CNc2cc(C(C)(C)C)cc(N)c2O1
InChIInChI=1S/C13H20N2O/c1-8-7-15-11-6-9(13(2,3)4)5-10(14)12(11)16-8/h5-6,8,15H,7,14H2,1-4H3
InChIKeyIUMANNZLXKZQGB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds

About 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (PubChem CID 82231064) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
PubChem CID82231064
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCC1CNc2cc(C(C)(C)C)cc(N)c2O1
InChIInChI=1S/C13H20N2O/c1-8-7-15-11-6-9(13(2,3)4)5-10(14)12(11)16-8/h5-6,8,15H,7,14H2,1-4H3
InChIKeyIUMANNZLXKZQGB-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
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 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The IUPAC name of 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (CID 82231064) is 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.
What is the SMILES notation for 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The canonical SMILES for 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is CC1CNc2cc(C(C)(C)C)cc(N)c2O1.
What is the InChIKey of 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The InChIKey is IUMANNZLXKZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-7-15-11-6-9(13(2,3)4)5-10(14)12(11)16-8/h5-6,8,15H,7,14H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine has a molecular weight of 220.32 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 82231064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).