2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine

C11H14N2O2 — CID 10220452

IUPAC2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESCc1ccc(C)c2c(OCCN)noc12
InChIInChI=1S/C11H14N2O2/c1-7-3-4-8(2)10-9(7)11(13-15-10)14-6-5-12/h3-4H,5-6,12H2,1-2H3
InChIKeyZTMODTQBGMQMDL-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.78
Rot. Bonds3

About 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine

2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine (PubChem CID 10220452) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine
PubChem CID10220452
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESCc1ccc(C)c2c(OCCN)noc12
InChIInChI=1S/C11H14N2O2/c1-7-3-4-8(2)10-9(7)11(13-15-10)14-6-5-12/h3-4H,5-6,12H2,1-2H3
InChIKeyZTMODTQBGMQMDL-UHFFFAOYSA-N
XLogP1.78
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine (CID 10220452) is 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine is Cc1ccc(C)c2c(OCCN)noc12.
What is the InChIKey of 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The InChIKey is ZTMODTQBGMQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-4-8(2)10-9(7)11(13-15-10)14-6-5-12/h3-4H,5-6,12H2,1-2H3.
What are the key properties of 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine has a molecular weight of 206.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 10220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).