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

C11H16ClNO — CID 156641344

IUPAC7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
SMILESCC.CC1CNc2ccc(Cl)cc2O1
InChIInChI=1S/C9H10ClNO.C2H6/c1-6-5-11-8-3-2-7(10)4-9(8)12-6;1-2/h2-4,6,11H,5H2,1H3;1-2H3
InChIKeyHPAQOHUDKOIPOP-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.56
Rot. Bonds

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

7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane (PubChem CID 156641344) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane.

Molecular Properties

Compound Name7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
PubChem CID156641344
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
SMILESCC.CC1CNc2ccc(Cl)cc2O1
InChIInChI=1S/C9H10ClNO.C2H6/c1-6-5-11-8-3-2-7(10)4-9(8)12-6;1-2/h2-4,6,11H,5H2,1H3;1-2H3
InChIKeyHPAQOHUDKOIPOP-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
7-chloro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429352
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429876
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
7-chloro-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81430030
7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81430931
ethyl 7-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 18788380
7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429879
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The IUPAC name of 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane (CID 156641344) is 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane.
What is the SMILES notation for 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The canonical SMILES for 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane is CC.CC1CNc2ccc(Cl)cc2O1.
What is the InChIKey of 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane?
The InChIKey is HPAQOHUDKOIPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C2H6/c1-6-5-11-8-3-2-7(10)4-9(8)12-6;1-2/h2-4,6,11H,5H2,1H3;1-2H3.
What are the key properties of 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane?
7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane has a molecular weight of 213.71 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane is sourced from PubChem (CID 156641344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).