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

C11H16N2O — CID 82096930

IUPAC2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
SMILESCc1ccc2c(c1)N(CCN)CCO2
InChIInChI=1S/C11H16N2O/c1-9-2-3-11-10(8-9)13(5-4-12)6-7-14-11/h2-3,8H,4-7,12H2,1H3
InChIKeyIVICJYFXRMEMSS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.15
Rot. Bonds2

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

2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine (PubChem CID 82096930) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
PubChem CID82096930
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
SMILESCc1ccc2c(c1)N(CCN)CCO2
InChIInChI=1S/C11H16N2O/c1-9-2-3-11-10(8-9)13(5-4-12)6-7-14-11/h2-3,8H,4-7,12H2,1H3
InChIKeyIVICJYFXRMEMSS-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The IUPAC name of 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine (CID 82096930) is 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine is Cc1ccc2c(c1)N(CCN)CCO2.
What is the InChIKey of 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The InChIKey is IVICJYFXRMEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-2-3-11-10(8-9)13(5-4-12)6-7-14-11/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine is sourced from PubChem (CID 82096930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).