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

C13H18N2O2 — CID 82025543

IUPAC6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(C)N)cc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3
InChIKeyNXRWFEBIDVJPCT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.84
Rot. Bonds2

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

6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82025543) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
PubChem CID82025543
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(C)N)cc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3
InChIKeyNXRWFEBIDVJPCT-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1-aminoethyl)-2-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

2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
6-(2-aminoethylsulfonyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82355072
2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
6-(1-aminopropyl)-2-ethyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82025915
6-(1-amino-2,2-dimethylpropyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82028541
2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82028591
2-ethyl-7-(hydroxymethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82338580
2-[(2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354975
2-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82233839
4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
CID 82142313
2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82339617
2-butyl-6-(1-hydroxy-2-imidazol-1-ylethyl)-4-methyl-1,4-benzoxazin-3-one
CID 15955643

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one (CID 82025543) is 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one is CCC1Oc2ccc(C(C)N)cc2N(C)C1=O.
What is the InChIKey of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is NXRWFEBIDVJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3.
What are the key properties of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).