3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine

C17H19NO2 — CID 939627

IUPAC3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine
SMILESCCOc1ccc2c(c1)CN(Cc1ccccc1)CO2
InChIInChI=1S/C17H19NO2/c1-2-19-16-8-9-17-15(10-16)12-18(13-20-17)11-14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3
InChIKeyVXSWILXKJVNMHE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.44
Rot. Bonds4

About 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine

3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine (PubChem CID 939627) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine
PubChem CID939627
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine
SMILESCCOc1ccc2c(c1)CN(Cc1ccccc1)CO2
InChIInChI=1S/C17H19NO2/c1-2-19-16-8-9-17-15(10-16)12-18(13-20-17)11-14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3
InChIKeyVXSWILXKJVNMHE-UHFFFAOYSA-N
XLogP3.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-benzyl-2,4-dihydro-1,3-benzoxazin-6-yl) 2-methylprop-2-enoate
CID 67101667
3-butyl-6-[10-[(3-butyl-2,4-dihydro-1,3-benzoxazin-6-yl)oxy]decoxy]-2,4-dihydro-1,3-benzoxazine
CID 102587382
11-benzyl-5-ethoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride
CID 18415760
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
3-[(3,4-dimethoxyphenyl)methyl]-6-(trifluoromethoxy)-2,4-dihydro-1,3-benzoxazine
CID 146661276
6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
CID 134384301
7-chloro-4-[(3-ethoxyphenyl)methyl]-5H-1,4-benzoxazepin-3-one
CID 53152552
3-benzyl-6-[2-[3-(cyclohexa-1,3-dien-1-ylmethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine
CID 163923019
2-(11-benzyl-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
CID 110067693
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453
4-[[4-[(3-ethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-ethylpiperazin-2-one
CID 118756277
4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 91913445

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine (CID 939627) is 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine is CCOc1ccc2c(c1)CN(Cc1ccccc1)CO2.
What is the InChIKey of 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The InChIKey is VXSWILXKJVNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-19-16-8-9-17-15(10-16)12-18(13-20-17)11-14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3.
What are the key properties of 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine has a molecular weight of 269.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 939627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).