[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine

C16H18N2O — CID 119054381

IUPAC[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CN1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c17-11-13-5-1-2-6-14(13)12-18-9-10-19-16-8-4-3-7-15(16)18/h1-8H,9-12,17H2
InChIKeyYEDZCHSNGDWFLQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.54
Rot. Bonds3

About [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine

[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine (PubChem CID 119054381) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine
PubChem CID119054381
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CN1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c17-11-13-5-1-2-6-14(13)12-18-9-10-19-16-8-4-3-7-15(16)18/h1-8H,9-12,17H2
InChIKeyYEDZCHSNGDWFLQ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine (CID 119054381) is [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine is NCc1ccccc1CN1CCOc2ccccc21.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine?
The InChIKey is YEDZCHSNGDWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-13-5-1-2-6-14(13)12-18-9-10-19-16-8-4-3-7-15(16)18/h1-8H,9-12,17H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine?
[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 119054381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).