1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine

C10H16N2O — CID 112714689

IUPAC1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESCC(N)C1c2cnoc2CCC1C
InChIInChI=1S/C10H16N2O/c1-6-3-4-9-8(5-12-13-9)10(6)7(2)11/h5-7,10H,3-4,11H2,1-2H3
InChIKeyCSNRFTFINLVLFJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds1

About 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine

1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (PubChem CID 112714689) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
PubChem CID112714689
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESCC(N)C1c2cnoc2CCC1C
InChIInChI=1S/C10H16N2O/c1-6-3-4-9-8(5-12-13-9)10(6)7(2)11/h5-7,10H,3-4,11H2,1-2H3
InChIKeyCSNRFTFINLVLFJ-UHFFFAOYSA-N
XLogP1.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (CID 112714689) is 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is CC(N)C1c2cnoc2CCC1C.
What is the InChIKey of 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The InChIKey is CSNRFTFINLVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-4-9-8(5-12-13-9)10(6)7(2)11/h5-7,10H,3-4,11H2,1-2H3.
What are the key properties of 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 112714689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).