1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol

C18H22N2O2 — CID 11493135

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)N1CCOc2ccccc21
InChIInChI=1S/C18H22N2O2/c1-19-13-16(21)18(14-7-3-2-4-8-14)20-11-12-22-17-10-6-5-9-15(17)20/h2-10,16,18-19,21H,11-13H2,1H3
InChIKeyNYFIIMYTYZYJNH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.21
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 11493135) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID11493135
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)N1CCOc2ccccc21
InChIInChI=1S/C18H22N2O2/c1-19-13-16(21)18(14-7-3-2-4-8-14)20-11-12-22-17-10-6-5-9-15(17)20/h2-10,16,18-19,21H,11-13H2,1H3
InChIKeyNYFIIMYTYZYJNH-UHFFFAOYSA-N
XLogP2.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol 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 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol (CID 11493135) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol is CNCC(O)C(c1ccccc1)N1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is NYFIIMYTYZYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-13-16(21)18(14-7-3-2-4-8-14)20-11-12-22-17-10-6-5-9-15(17)20/h2-10,16,18-19,21H,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 298.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 11493135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).