1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine

C13H16N2O — CID 64668295

IUPAC1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1ccc2nc(C(C)(N)C3CC3)oc2c1
InChIInChI=1S/C13H16N2O/c1-8-3-6-10-11(7-8)16-12(15-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyJWJNABYTNNJPNK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.72
Rot. Bonds2

About 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine

1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 64668295) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine
PubChem CID64668295
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1ccc2nc(C(C)(N)C3CC3)oc2c1
InChIInChI=1S/C13H16N2O/c1-8-3-6-10-11(7-8)16-12(15-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyJWJNABYTNNJPNK-UHFFFAOYSA-N
XLogP2.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine (CID 64668295) is 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine is Cc1ccc2nc(C(C)(N)C3CC3)oc2c1.
What is the InChIKey of 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is JWJNABYTNNJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-3-6-10-11(7-8)16-12(15-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine?
1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 64668295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).