7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide

C10H12BrClN2O — CID 23349429

IUPAC7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide
SMILESBr.CN(C)C1=NCc2ccc(Cl)cc2O1
InChIInChI=1S/C10H11ClN2O.BrH/c1-13(2)10-12-6-7-3-4-8(11)5-9(7)14-10;/h3-5H,6H2,1-2H3;1H
InChIKeyDSOKINXDMZDVTF-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.73
Rot. Bonds

About 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide

7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide (PubChem CID 23349429) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide
PubChem CID23349429
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide
SMILESBr.CN(C)C1=NCc2ccc(Cl)cc2O1
InChIInChI=1S/C10H11ClN2O.BrH/c1-13(2)10-12-6-7-3-4-8(11)5-9(7)14-10;/h3-5H,6H2,1-2H3;1H
InChIKeyDSOKINXDMZDVTF-UHFFFAOYSA-N
XLogP2.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide?
The IUPAC name of 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide (CID 23349429) is 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide.
What is the SMILES notation for 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide?
The canonical SMILES for 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide is Br.CN(C)C1=NCc2ccc(Cl)cc2O1.
What is the InChIKey of 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide?
The InChIKey is DSOKINXDMZDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O.BrH/c1-13(2)10-12-6-7-3-4-8(11)5-9(7)14-10;/h3-5H,6H2,1-2H3;1H.
What are the key properties of 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide?
7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide has a molecular weight of 291.58 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide is sourced from PubChem (CID 23349429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).