6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine

C19H23NO — CID 943150

IUPAC6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(N2COc3ccc(C(C)(C)C)cc3C2)c1
InChIInChI=1S/C19H23NO/c1-14-6-5-7-17(10-14)20-12-15-11-16(19(2,3)4)8-9-18(15)21-13-20/h5-11H,12-13H2,1-4H3
InChIKeyXXDITWGCSJYAIP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.65
Rot. Bonds1

About 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine

6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 943150) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID943150
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(N2COc3ccc(C(C)(C)C)cc3C2)c1
InChIInChI=1S/C19H23NO/c1-14-6-5-7-17(10-14)20-12-15-11-16(19(2,3)4)8-9-18(15)21-13-20/h5-11H,12-13H2,1-4H3
InChIKeyXXDITWGCSJYAIP-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-Butyl-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 227114
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025711
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025712
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
8-Methoxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline
CID 2829840
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-4-phenyl-piperazine
CID 10569886
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424
1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760170
1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10807686
1-[(4-Methoxy-2,3-dimethylphenyl)methyl]-4-phenylpiperazine
CID 785690

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 943150) is 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine is Cc1cccc(N2COc3ccc(C(C)(C)C)cc3C2)c1.
What is the InChIKey of 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is XXDITWGCSJYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-6-5-7-17(10-14)20-12-15-11-16(19(2,3)4)8-9-18(15)21-13-20/h5-11H,12-13H2,1-4H3.
What are the key properties of 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 281.40 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(3-methylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 943150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).