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

C12H18N2O — CID 82340042

IUPAC2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
SMILESCCN1CCOc2ccc(CCN)cc21
InChIInChI=1S/C12H18N2O/c1-2-14-7-8-15-12-4-3-10(5-6-13)9-11(12)14/h3-4,9H,2,5-8,13H2,1H3
InChIKeyVPGQLACXVFSTLS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds3

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

2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine (PubChem CID 82340042) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
PubChem CID82340042
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
SMILESCCN1CCOc2ccc(CCN)cc21
InChIInChI=1S/C12H18N2O/c1-2-14-7-8-15-12-4-3-10(5-6-13)9-11(12)14/h3-4,9H,2,5-8,13H2,1H3
InChIKeyVPGQLACXVFSTLS-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine (CID 82340042) is 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine is CCN1CCOc2ccc(CCN)cc21.
What is the InChIKey of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine?
The InChIKey is VPGQLACXVFSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-7-8-15-12-4-3-10(5-6-13)9-11(12)14/h3-4,9H,2,5-8,13H2,1H3.
What are the key properties of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine?
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine is sourced from PubChem (CID 82340042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).