2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine

C13H19N3O2 — CID 79994683

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCCN(CCOC)Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C13H19N3O2/c1-3-16(6-7-17-2)9-13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyZRTUNWGZVXQYEK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds6

About 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine

2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine (PubChem CID 79994683) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
PubChem CID79994683
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCCN(CCOC)Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C13H19N3O2/c1-3-16(6-7-17-2)9-13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyZRTUNWGZVXQYEK-UHFFFAOYSA-N
XLogP1.88
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine (CID 79994683) is 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine is CCN(CCOC)Cc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine?
The InChIKey is ZRTUNWGZVXQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(6-7-17-2)9-13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine?
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine has a molecular weight of 249.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79994683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).