2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one

C12H16N2O2 — CID 82231045

IUPAC2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)N(C)C(=O)C(CN)O2
InChIInChI=1S/C12H16N2O2/c1-3-8-4-5-10-9(6-8)14(2)12(15)11(7-13)16-10/h4-6,11H,3,7,13H2,1-2H3
InChIKeyMUTMRDOMVVCDGB-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.93
Rot. Bonds2

About 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one

2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82231045) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
PubChem CID82231045
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)N(C)C(=O)C(CN)O2
InChIInChI=1S/C12H16N2O2/c1-3-8-4-5-10-9(6-8)14(2)12(15)11(7-13)16-10/h4-6,11H,3,7,13H2,1-2H3
InChIKeyMUTMRDOMVVCDGB-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
CID 82142313
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
2-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82233839
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82025543
6-(2-aminoethylsulfonyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82355072
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229238
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
2-ethyl-7-(hydroxymethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82338580
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl)acetic acid
CID 82025526
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
6-acetyl-2-butyl-4-methyl-1,4-benzoxazin-3-one
CID 11507201

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one (CID 82231045) is 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one is CCc1ccc2c(c1)N(C)C(=O)C(CN)O2.
What is the InChIKey of 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is MUTMRDOMVVCDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-8-4-5-10-9(6-8)14(2)12(15)11(7-13)16-10/h4-6,11H,3,7,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one?
2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 220.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82231045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).