7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

C14H18BrN — CID 11242950

IUPAC7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESBrc1ccc2c(c1)CNCC21CCCCC1
InChIInChI=1S/C14H18BrN/c15-12-4-5-13-11(8-12)9-16-10-14(13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,9-10H2
InChIKeyBZEBXNFZFCGENY-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.75
Rot. Bonds

About 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (PubChem CID 11242950) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].

Molecular Properties

Compound Name7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
PubChem CID11242950
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESBrc1ccc2c(c1)CNCC21CCCCC1
InChIInChI=1S/C14H18BrN/c15-12-4-5-13-11(8-12)9-16-10-14(13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,9-10H2
InChIKeyBZEBXNFZFCGENY-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] with MolForge

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Related Compounds

7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
CID 155820090
(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 129384980
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];tert-butyl 7-bromospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxylate
CID 163820084
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
CID 84629055
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
CID 104696992
7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625303
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The IUPAC name of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (CID 11242950) is 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].
What is the SMILES notation for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The canonical SMILES for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is Brc1ccc2c(c1)CNCC21CCCCC1.
What is the InChIKey of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The InChIKey is BZEBXNFZFCGENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-12-4-5-13-11(8-12)9-16-10-14(13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,9-10H2.
What are the key properties of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] has a molecular weight of 280.21 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is sourced from PubChem (CID 11242950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).