1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride

C₁₁H₁₅ClN₂O — CID 155977769

About 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride

1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 155977769) has the molecular formula C₁₁H₁₅ClN₂O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride
• PubChem CID: 155977769
• Molecular Formula: C₁₁H₁₅ClN₂O
• Molecular Weight: 226.71 g/mol
• Exact Mass: 226.09
• IUPAC Name: 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride
• SMILES: CNC(C)Cc1ccc2oncc2c1.Cl
• InChI: InChI=1S/C11H14N2O.ClH/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11;/h3-4,6-8,12H,5H2,1-2H3;1H
• InChIKey: VNDIIXNUGMBVTN-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.71
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?

The IUPAC name of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride (CID 155977769) is 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride.

What is the SMILES notation for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?

The canonical SMILES for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1ccc2oncc2c1.Cl.

What is the InChIKey of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?

The InChIKey is VNDIIXNUGMBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11;/h3-4,6-8,12H,5H2,1-2H3;1H.

What are the key properties of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?

1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 155977769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155977769 — identifiers, structure, computed properties (public domain)

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