6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine

C11H14ClNO — CID 23602282

IUPAC6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCCC1CNc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-2-3-9-7-13-10-6-8(12)4-5-11(10)14-9/h4-6,9,13H,2-3,7H2,1H3
InChIKeyWWZODEQNNONCHT-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.31
Rot. Bonds2

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

6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 23602282) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID23602282
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCCC1CNc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-2-3-9-7-13-10-6-8(12)4-5-11(10)14-9/h4-6,9,13H,2-3,7H2,1H3
InChIKeyWWZODEQNNONCHT-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine (CID 23602282) is 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine is CCCC1CNc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is WWZODEQNNONCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-3-9-7-13-10-6-8(12)4-5-11(10)14-9/h4-6,9,13H,2-3,7H2,1H3.
What are the key properties of 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 211.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 23602282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).