4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine

C16H18N2O2 — CID 18416167

IUPAC4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCOc1ccc(CN2CCOc3cc(N)ccc32)cc1
InChIInChI=1S/C16H18N2O2/c1-19-14-5-2-12(3-6-14)11-18-8-9-20-16-10-13(17)4-7-15(16)18/h2-7,10H,8-9,11,17H2,1H3
InChIKeyUIHSPPXYKPQEHJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.68
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine

4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 18416167) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
PubChem CID18416167
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCOc1ccc(CN2CCOc3cc(N)ccc32)cc1
InChIInChI=1S/C16H18N2O2/c1-19-14-5-2-12(3-6-14)11-18-8-9-20-16-10-13(17)4-7-15(16)18/h2-7,10H,8-9,11,17H2,1H3
InChIKeyUIHSPPXYKPQEHJ-UHFFFAOYSA-N
XLogP2.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine (CID 18416167) is 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine is COc1ccc(CN2CCOc3cc(N)ccc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is UIHSPPXYKPQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-14-5-2-12(3-6-14)11-18-8-9-20-16-10-13(17)4-7-15(16)18/h2-7,10H,8-9,11,17H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 270.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 18416167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).