(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

C13H20N2O — CID 84623706

IUPAC(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCC(C)(C)c1ccc2c(c1)NC(CN)CO2
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12-11(6-9)15-10(7-14)8-16-12/h4-6,10,15H,7-8,14H2,1-3H3
InChIKeyBQEJRBHYPFKLCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds1

About (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (PubChem CID 84623706) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
PubChem CID84623706
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCC(C)(C)c1ccc2c(c1)NC(CN)CO2
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12-11(6-9)15-10(7-14)8-16-12/h4-6,10,15H,7-8,14H2,1-3H3
InChIKeyBQEJRBHYPFKLCW-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837582
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
(3S)-6-bromo-3-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 125486624
2-(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84634836
(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 143663551
(3S)-3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 1479591
(3S)-6-bromo-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94977042
3-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837587
8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825492
3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84621114
6-tert-butyl-3-methylidene-4H-1,4-benzoxazine
CID 58094257
6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 55296444

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (CID 84623706) is (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is CC(C)(C)c1ccc2c(c1)NC(CN)CO2.
What is the InChIKey of (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is BQEJRBHYPFKLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12-11(6-9)15-10(7-14)8-16-12/h4-6,10,15H,7-8,14H2,1-3H3.
What are the key properties of (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 84623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).