3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine

C17H19NO — CID 144612402

IUPAC3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
SMILESCCCc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C17H19NO/c1-2-6-14-9-10-17-15(11-14)12-18(13-19-17)16-7-4-3-5-8-16/h3-5,7-11H,2,6,12-13H2,1H3
InChIKeyXUBHHDINCLCCPR-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.00
Rot. Bonds3

About 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine

3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 144612402) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
PubChem CID144612402
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
SMILESCCCc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C17H19NO/c1-2-6-14-9-10-17-15(11-14)12-18(13-19-17)16-7-4-3-5-8-16/h3-5,7-11H,2,6,12-13H2,1H3
InChIKeyXUBHHDINCLCCPR-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-pentadecyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 167110484
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-3-[4-[[4-[8-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 58526204
methane;tris(3-phenyl-2,4-dihydro-1,3-benzoxazine);3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine;propane
CID 158853295
(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl 3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carboxylate
CID 165154148
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
2-[4-[6-[[3-[4-(carboxymethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid
CID 170039394
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
6-(1-adamantyl)-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86011389
3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine (CID 144612402) is 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine is CCCc1ccc2c(c1)CN(c1ccccc1)CO2.
What is the InChIKey of 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is XUBHHDINCLCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-14-9-10-17-15(11-14)12-18(13-19-17)16-7-4-3-5-8-16/h3-5,7-11H,2,6,12-13H2,1H3.
What are the key properties of 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine?
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 253.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 144612402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).