ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine

C14H25NO — CID 142558688

IUPACethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC.CC.CCc1ccc2c(c1)OCCN2
InChIInChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3
InChIKeyQRQJIMIUJMXGDP-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.11
Rot. Bonds1

About ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine

ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 142558688) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID142558688
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC.CC.CCc1ccc2c(c1)OCCN2
InChIInChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3
InChIKeyQRQJIMIUJMXGDP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-1,4-benzoxazin-7-ylmethyl)benzaldehyde
CID 166541088
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 142558688) is ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine is CC.CC.CCc1ccc2c(c1)OCCN2.
What is the InChIKey of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is QRQJIMIUJMXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 223.36 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 142558688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).