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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine
CID 70590951
6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine
CID 23349414
2-(2-bromomorpholin-4-yl)-7-chloro-4H-1,3-benzoxazine
CID 70590786
7-chloro-4H-1,3-benzodioxin-2-one
CID 84769510
5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one
CID 121223352
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
6-chloro-3H-1,2-benzodioxole
CID 87998289
7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine
CID 21122317
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 54124385
6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 141184088
2-(4-chlorophenyl)-4H-1,3-benzoxazine
CID 19099047
6-chloro-3H-2,1-benzoxathiole
CID 129304896

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).