6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H10ClNO — CID 79001894

IUPAC6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(Cl)cc2c1OCCN2
InChIInChI=1S/C9H10ClNO/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,11H,2-3H2,1H3
InChIKeyBBVKCNCNVQNXGE-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.45
Rot. Bonds

About 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 79001894) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID79001894
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(Cl)cc2c1OCCN2
InChIInChI=1S/C9H10ClNO/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,11H,2-3H2,1H3
InChIKeyBBVKCNCNVQNXGE-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 79001894) is 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(Cl)cc2c1OCCN2.
What is the InChIKey of 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BBVKCNCNVQNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,11H,2-3H2,1H3.
What are the key properties of 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 183.64 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 79001894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).