2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

C13H18N2O — CID 82114095

IUPAC2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESC=CCN1CC(CCN)Oc2ccccc21
InChIInChI=1S/C13H18N2O/c1-2-9-15-10-11(7-8-14)16-13-6-4-3-5-12(13)15/h2-6,11H,1,7-10,14H2
InChIKeyGPEQZLKUPAIGTP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 82114095) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
PubChem CID82114095
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESC=CCN1CC(CCN)Oc2ccccc21
InChIInChI=1S/C13H18N2O/c1-2-9-15-10-11(7-8-14)16-13-6-4-3-5-12(13)15/h2-6,11H,1,7-10,14H2
InChIKeyGPEQZLKUPAIGTP-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-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-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (CID 82114095) is 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is C=CCN1CC(CCN)Oc2ccccc21.
What is the InChIKey of 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is GPEQZLKUPAIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-9-15-10-11(7-8-14)16-13-6-4-3-5-12(13)15/h2-6,11H,1,7-10,14H2.
What are the key properties of 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 82114095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).