2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine

C18H20N2O2 — CID 71681471

IUPAC2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CCO3)c2)c1
InChIInChI=1S/C18H20N2O2/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20)
InChIKeyKQMBMKYLPGWKDZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.31
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine

2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine (PubChem CID 71681471) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
PubChem CID71681471
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CCO3)c2)c1
InChIInChI=1S/C18H20N2O2/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20)
InChIKeyKQMBMKYLPGWKDZ-UHFFFAOYSA-N
XLogP3.31
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine?
The IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine (CID 71681471) is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine is COc1cccc(-c2cccc(C3(C)N=C(N)CCO3)c2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine?
The InChIKey is KQMBMKYLPGWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20).
What are the key properties of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine?
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine is sourced from PubChem (CID 71681471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).