7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine

C11H14ClNO — CID 84621622

IUPAC7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
SMILESCC1(C)CNCc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-11(2)7-13-6-8-5-9(12)3-4-10(8)14-11/h3-5,13H,6-7H2,1-2H3
InChIKeyAAEZKGLWGYOAHE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.60
Rot. Bonds

About 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine

7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine (PubChem CID 84621622) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
PubChem CID84621622
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
SMILESCC1(C)CNCc2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-11(2)7-13-6-8-5-9(12)3-4-10(8)14-11/h3-5,13H,6-7H2,1-2H3
InChIKeyAAEZKGLWGYOAHE-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine 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

6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine-7-carbonitrile;hydrochloride
CID 135149530
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
7-chloro-2-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 84690232
2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
CID 121006133
2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 154680530
7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
CID 84721787
6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene
CID 121007981
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703596
8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84723595

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine?
The IUPAC name of 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine (CID 84621622) is 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine.
What is the SMILES notation for 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine?
The canonical SMILES for 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine is CC1(C)CNCc2cc(Cl)ccc2O1.
What is the InChIKey of 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine?
The InChIKey is AAEZKGLWGYOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(2)7-13-6-8-5-9(12)3-4-10(8)14-11/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine?
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine has a molecular weight of 211.69 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine is sourced from PubChem (CID 84621622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).