7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine

C14H18BrN — CID 58277899

IUPAC7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESBrc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C14H18BrN/c15-13-5-4-11-6-8-16(14-2-1-3-14)9-7-12(11)10-13/h4-5,10,14H,1-3,6-9H2
InChIKeyQFJODRPODOSFJB-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.40
Rot. Bonds1

About 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine

7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 58277899) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID58277899
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESBrc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C14H18BrN/c15-13-5-4-11-6-8-16(14-2-1-3-14)9-7-12(11)10-13/h4-5,10,14H,1-3,6-9H2
InChIKeyQFJODRPODOSFJB-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-cyclobutyl-3,4-dihydro-1H-isoquinoline
CID 84711609
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
7-(5-bromopyrimidin-2-yl)oxy-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 68507873
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
3-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-cyclobutylpiperazin-1-yl)propanal
CID 174563734
4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylic acid
CID 174157489
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzonitrile
CID 58940734
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
2-(1-benzylpiperidin-4-yl)-6-bromo-3,4-dihydro-1H-isoquinoline
CID 170561008
2-bromo-6,7,8,10,11,12,13,13a,14,15-decahydropyrido[1,2-e][1,5]benzoxazecine
CID 91019852
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine (CID 58277899) is 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine is Brc1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is QFJODRPODOSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-5-4-11-6-8-16(14-2-1-3-14)9-7-12(11)10-13/h4-5,10,14H,1-3,6-9H2.
What are the key properties of 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine?
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 280.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 58277899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).