3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C15H15NO — CID 116837257

IUPAC3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc(C2COc3ccccc3N2)c1
InChIInChI=1S/C15H15NO/c1-11-5-4-6-12(9-11)14-10-17-15-8-3-2-7-13(15)16-14/h2-9,14,16H,10H2,1H3
InChIKeyDCLUVBRTODZAED-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.54
Rot. Bonds1

About 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837257) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837257
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc(C2COc3ccccc3N2)c1
InChIInChI=1S/C15H15NO/c1-11-5-4-6-12(9-11)14-10-17-15-8-3-2-7-13(15)16-14/h2-9,14,16H,10H2,1H3
InChIKeyDCLUVBRTODZAED-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837497
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837206
3-(1H-pyrrol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837233
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837271
7-chloro-3-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467783
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
6-bromo-3-(3,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837284
2-(4-methylphenyl)-2,3-dihydro-1H-4,1-benzoxazepin-5-one
CID 102291977
3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837207

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837257) is 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc(C2COc3ccccc3N2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DCLUVBRTODZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-5-4-6-12(9-11)14-10-17-15-8-3-2-7-13(15)16-14/h2-9,14,16H,10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 225.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).