[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine

C15H14Cl2N2O — CID 24985007

IUPAC[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
SMILESNCC1CNc2cccc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C15H14Cl2N2O/c16-9-4-5-11(13(17)6-9)12-2-1-3-14-15(12)20-10(7-18)8-19-14/h1-6,10,19H,7-8,18H2
InChIKeyHCMYNXDFYLGAQP-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.79
Rot. Bonds2

About [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine

[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine (PubChem CID 24985007) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine.

Molecular Properties

Compound Name[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
PubChem CID24985007
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
SMILESNCC1CNc2cccc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C15H14Cl2N2O/c16-9-4-5-11(13(17)6-9)12-2-1-3-14-15(12)20-10(7-18)8-19-14/h1-6,10,19H,7-8,18H2
InChIKeyHCMYNXDFYLGAQP-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine 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 [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The IUPAC name of [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine (CID 24985007) is [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine.
What is the SMILES notation for [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The canonical SMILES for [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine is NCC1CNc2cccc(-c3ccc(Cl)cc3Cl)c2O1.
What is the InChIKey of [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The InChIKey is HCMYNXDFYLGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-9-4-5-11(13(17)6-9)12-2-1-3-14-15(12)20-10(7-18)8-19-14/h1-6,10,19H,7-8,18H2.
What are the key properties of [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine has a molecular weight of 309.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine is sourced from PubChem (CID 24985007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).