(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

C15H16N2O — CID 19748826

IUPAC(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESNCC1CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H16N2O/c16-10-13-11-17(12-6-2-1-3-7-12)14-8-4-5-9-15(14)18-13/h1-9,13H,10-11,16H2
InChIKeyDUIAYSNQVOXYOT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.54
Rot. Bonds2

About (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (PubChem CID 19748826) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
PubChem CID19748826
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESNCC1CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H16N2O/c16-10-13-11-17(12-6-2-1-3-7-12)14-8-4-5-9-15(14)18-13/h1-9,13H,10-11,16H2
InChIKeyDUIAYSNQVOXYOT-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The IUPAC name of (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (CID 19748826) is (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.
What is the SMILES notation for (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The canonical SMILES for (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is NCC1CN(c2ccccc2)c2ccccc2O1.
What is the InChIKey of (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The InChIKey is DUIAYSNQVOXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-10-13-11-17(12-6-2-1-3-7-12)14-8-4-5-9-15(14)18-13/h1-9,13H,10-11,16H2.
What are the key properties of (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is sourced from PubChem (CID 19748826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).