2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

C18H21NO2 — CID 71453917

IUPAC2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2CNc3c(C)cc(C)c(C)c3O2)cc1
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-16(10-19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3
InChIKeyNKCARWASHRKMTF-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.17
Rot. Bonds2

About 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 71453917) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID71453917
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2CNc3c(C)cc(C)c(C)c3O2)cc1
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-16(10-19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3
InChIKeyNKCARWASHRKMTF-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 71453917) is 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(C2CNc3c(C)cc(C)c(C)c3O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is NKCARWASHRKMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-16(10-19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 283.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 71453917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).