1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride

C15H23ClN2O2 — CID 119789034

About 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride

1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride (PubChem CID 119789034) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
• PubChem CID: 119789034
• Molecular Formula: C15H23ClN2O2
• Molecular Weight: 298.81 g/mol
• Exact Mass: 298.14
• IUPAC Name: 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
• SMILES: CNCC(C)C(=O)N1CC(C)Oc2cc(C)ccc21.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-10-5-6-13-14(7-10)19-12(3)9-17(13)15(18)11(2)8-16-4;/h5-7,11-12,16H,8-9H2,1-4H3;1H
• InChIKey: MGFGETGSLDMJKS-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.81
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?

The IUPAC name of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride (CID 119789034) is 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride.

What is the SMILES notation for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?

The canonical SMILES for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride is CNCC(C)C(=O)N1CC(C)Oc2cc(C)ccc21.Cl.

What is the InChIKey of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?

The InChIKey is MGFGETGSLDMJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-5-6-13-14(7-10)19-12(3)9-17(13)15(18)11(2)8-16-4;/h5-7,11-12,16H,8-9H2,1-4H3;1H.

What are the key properties of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?

1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 119789034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).