5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine

C15H20BrN — CID 115057137

IUPAC5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
SMILESNC1CCc2c(Br)cccc2C12CCCCC2
InChIInChI=1S/C15H20BrN/c16-13-6-4-5-12-11(13)7-8-14(17)15(12)9-2-1-3-10-15/h4-6,14H,1-3,7-10,17H2
InChIKeyPHSXBEAOMQDDPE-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.92
Rot. Bonds

About 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine

5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine (PubChem CID 115057137) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
PubChem CID115057137
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
SMILESNC1CCc2c(Br)cccc2C12CCCCC2
InChIInChI=1S/C15H20BrN/c16-13-6-4-5-12-11(13)7-8-14(17)15(12)9-2-1-3-10-15/h4-6,14H,1-3,7-10,17H2
InChIKeyPHSXBEAOMQDDPE-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-amine
CID 115057113
(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
CID 129284856
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057388
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
CID 115057072
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728034
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine?
The IUPAC name of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine (CID 115057137) is 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine.
What is the SMILES notation for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine?
The canonical SMILES for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine is NC1CCc2c(Br)cccc2C12CCCCC2.
What is the InChIKey of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine?
The InChIKey is PHSXBEAOMQDDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-13-6-4-5-12-11(13)7-8-14(17)15(12)9-2-1-3-10-15/h4-6,14H,1-3,7-10,17H2.
What are the key properties of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine?
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine has a molecular weight of 294.24 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine is sourced from PubChem (CID 115057137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).