2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine

C12H18N2O — CID 84620761

IUPAC2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
SMILESCc1cccc2c1OCC(CCN)N2C
InChIInChI=1S/C12H18N2O/c1-9-4-3-5-11-12(9)15-8-10(6-7-13)14(11)2/h3-5,10H,6-8,13H2,1-2H3
InChIKeyMDYZUUFKLMHKOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

About 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine

2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine (PubChem CID 84620761) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
PubChem CID84620761
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
SMILESCc1cccc2c1OCC(CCN)N2C
InChIInChI=1S/C12H18N2O/c1-9-4-3-5-11-12(9)15-8-10(6-7-13)14(11)2/h3-5,10H,6-8,13H2,1-2H3
InChIKeyMDYZUUFKLMHKOL-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The IUPAC name of 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine (CID 84620761) is 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine.
What is the SMILES notation for 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The canonical SMILES for 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine is Cc1cccc2c1OCC(CCN)N2C.
What is the InChIKey of 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The InChIKey is MDYZUUFKLMHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-3-5-11-12(9)15-8-10(6-7-13)14(11)2/h3-5,10H,6-8,13H2,1-2H3.
What are the key properties of 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine is sourced from PubChem (CID 84620761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).