2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine

C10H16N2O — CID 83875498

IUPAC2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
SMILESCc1nc2c(o1)CCCC2CCN
InChIInChI=1S/C10H16N2O/c1-7-12-10-8(5-6-11)3-2-4-9(10)13-7/h8H,2-6,11H2,1H3
InChIKeyUNUJSVNQOSYDBS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds2

About 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine

2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine (PubChem CID 83875498) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
PubChem CID83875498
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
SMILESCc1nc2c(o1)CCCC2CCN
InChIInChI=1S/C10H16N2O/c1-7-12-10-8(5-6-11)3-2-4-9(10)13-7/h8H,2-6,11H2,1H3
InChIKeyUNUJSVNQOSYDBS-UHFFFAOYSA-N
XLogP1.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine (CID 83875498) is 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine is Cc1nc2c(o1)CCCC2CCN.
What is the InChIKey of 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The InChIKey is UNUJSVNQOSYDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-12-10-8(5-6-11)3-2-4-9(10)13-7/h8H,2-6,11H2,1H3.
What are the key properties of 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 83875498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).