N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine

C11H14N2O — CID 105444370

IUPACN-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
SMILESCNCCc1onc2ccc(C)cc12
InChIInChI=1S/C11H14N2O/c1-8-3-4-10-9(7-8)11(14-13-10)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNEERUHQMDKXSQO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine

N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine (PubChem CID 105444370) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
PubChem CID105444370
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
SMILESCNCCc1onc2ccc(C)cc12
InChIInChI=1S/C11H14N2O/c1-8-3-4-10-9(7-8)11(14-13-10)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNEERUHQMDKXSQO-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine (CID 105444370) is N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine is CNCCc1onc2ccc(C)cc12.
What is the InChIKey of N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine?
The InChIKey is NEERUHQMDKXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-4-10-9(7-8)11(14-13-10)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine?
N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine has a molecular weight of 190.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine is sourced from PubChem (CID 105444370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).