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

C11H16N2O2 — CID 83754217

IUPAC2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
SMILESCOc1ccc2c(c1)N(CCN)CCO2
InChIInChI=1S/C11H16N2O2/c1-14-9-2-3-11-10(8-9)13(5-4-12)6-7-15-11/h2-3,8H,4-7,12H2,1H3
InChIKeyDHGMFHQTANBRNN-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds3

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

2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine (PubChem CID 83754217) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
PubChem CID83754217
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
SMILESCOc1ccc2c(c1)N(CCN)CCO2
InChIInChI=1S/C11H16N2O2/c1-14-9-2-3-11-10(8-9)13(5-4-12)6-7-15-11/h2-3,8H,4-7,12H2,1H3
InChIKeyDHGMFHQTANBRNN-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine (CID 83754217) is 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine is COc1ccc2c(c1)N(CCN)CCO2.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
The InChIKey is DHGMFHQTANBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-9-2-3-11-10(8-9)13(5-4-12)6-7-15-11/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine?
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine has a molecular weight of 208.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine is sourced from PubChem (CID 83754217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).