7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine

C11H15BrN2 — CID 115429330

IUPAC7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
SMILESCC1(C)CNc2ccc(Br)cc2NC1
InChIInChI=1S/C11H15BrN2/c1-11(2)6-13-9-4-3-8(12)5-10(9)14-7-11/h3-5,13-14H,6-7H2,1-2H3
InChIKeyZANGQGIRLRSJBU-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.31
Rot. Bonds

About 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine

7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 115429330) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID115429330
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
SMILESCC1(C)CNc2ccc(Br)cc2NC1
InChIInChI=1S/C11H15BrN2/c1-11(2)6-13-9-4-3-8(12)5-10(9)14-7-11/h3-5,13-14H,6-7H2,1-2H3
InChIKeyZANGQGIRLRSJBU-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717
7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
7-bromo-3a-methyl-2,3,4,5,10,10a-hexahydro-1H-cyclopenta[b][1,5]benzodiazepine
CID 82765251
5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701891
6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]
CID 115293412
5-bromo-3,3-difluoro-1,2-dihydroindole
CID 135392171
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 84643123
7-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 10752520
7-bromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 10538060
6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole
CID 58221860

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine (CID 115429330) is 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine is CC1(C)CNc2ccc(Br)cc2NC1.
What is the InChIKey of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is ZANGQGIRLRSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-11(2)6-13-9-4-3-8(12)5-10(9)14-7-11/h3-5,13-14H,6-7H2,1-2H3.
What are the key properties of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine?
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 255.16 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 115429330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).