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

C16H18N2O2 — CID 68550017

IUPAC[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)CN3)cc1
InChIInChI=1S/C16H18N2O2/c1-19-12-7-5-11(6-8-12)14-3-2-4-15-16(14)20-13(9-17)10-18-15/h2-8,13,18H,9-10,17H2,1H3/t13-/m1/s1
InChIKeyBXYIKLXMMXTCSB-CYBMUJFWSA-N
MW270.33 g/mol
LogP2.49
Rot. Bonds3

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

[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine (PubChem CID 68550017) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
PubChem CID68550017
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)CN3)cc1
InChIInChI=1S/C16H18N2O2/c1-19-12-7-5-11(6-8-12)14-3-2-4-15-16(14)20-13(9-17)10-18-15/h2-8,13,18H,9-10,17H2,1H3/t13-/m1/s1
InChIKeyBXYIKLXMMXTCSB-CYBMUJFWSA-N
XLogP2.49
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The IUPAC name of [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine (CID 68550017) is [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine.
What is the SMILES notation for [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The canonical SMILES for [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine is COc1ccc(-c2cccc3c2O[C@H](CN)CN3)cc1.
What is the InChIKey of [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
The InChIKey is BXYIKLXMMXTCSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-12-7-5-11(6-8-12)14-3-2-4-15-16(14)20-13(9-17)10-18-15/h2-8,13,18H,9-10,17H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine?
[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine has a molecular weight of 270.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine is sourced from PubChem (CID 68550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).