6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

C13H19NO — CID 82230354

IUPAC6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NC(C(C)C)CO2
InChIInChI=1S/C13H19NO/c1-4-10-5-6-13-11(7-10)14-12(8-15-13)9(2)3/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyVBGSUSHWXCNKDS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.08
Rot. Bonds2

About 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82230354) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82230354
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NC(C(C)C)CO2
InChIInChI=1S/C13H19NO/c1-4-10-5-6-13-11(7-10)14-12(8-15-13)9(2)3/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyVBGSUSHWXCNKDS-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837543
6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
CID 84664966
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 175626668
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
1-(5-ethyl-2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860511
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973
6-ethyl-2-methyl-3,4-dihydro-2H-chromene
CID 143125132

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 82230354) is 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccc2c(c1)NC(C(C)C)CO2.
What is the InChIKey of 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VBGSUSHWXCNKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10-5-6-13-11(7-10)14-12(8-15-13)9(2)3/h5-7,9,12,14H,4,8H2,1-3H3.
What are the key properties of 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 205.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82230354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).