2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

C13H20N2O — CID 84623698

IUPAC2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCCc1ccc2c(c1)NC(C)C(CCN)O2
InChIInChI=1S/C13H20N2O/c1-3-10-4-5-13-11(8-10)15-9(2)12(16-13)6-7-14/h4-5,8-9,12,15H,3,6-7,14H2,1-2H3
InChIKeyJXDZBWYBKSMNAR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds3

About 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 84623698) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
PubChem CID84623698
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCCc1ccc2c(c1)NC(C)C(CCN)O2
InChIInChI=1S/C13H20N2O/c1-3-10-4-5-13-11(8-10)15-9(2)12(16-13)6-7-14/h4-5,8-9,12,15H,3,6-7,14H2,1-2H3
InChIKeyJXDZBWYBKSMNAR-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (CID 84623698) is 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is CCc1ccc2c(c1)NC(C)C(CCN)O2.
What is the InChIKey of 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is JXDZBWYBKSMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10-4-5-13-11(8-10)15-9(2)12(16-13)6-7-14/h4-5,8-9,12,15H,3,6-7,14H2,1-2H3.
What are the key properties of 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 84623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).