(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine

C15H18BrF2N — CID 123340415

IUPAC(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine
SMILESNCC1c2cc(Br)ccc2CC12CCC(F)(F)CC2
InChIInChI=1S/C15H18BrF2N/c16-11-2-1-10-8-14(13(9-19)12(10)7-11)3-5-15(17,18)6-4-14/h1-2,7,13H,3-6,8-9,19H2
InChIKeyFOYGJZJQYYNJRD-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.24
Rot. Bonds1

About (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine

(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine (PubChem CID 123340415) has the molecular formula C15H18BrF2N and a molecular weight of 330.22 g/mol. Its IUPAC name is (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine
PubChem CID123340415
Molecular FormulaC15H18BrF2N
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine
SMILESNCC1c2cc(Br)ccc2CC12CCC(F)(F)CC2
InChIInChI=1S/C15H18BrF2N/c16-11-2-1-10-8-14(13(9-19)12(10)7-11)3-5-15(17,18)6-4-14/h1-2,7,13H,3-6,8-9,19H2
InChIKeyFOYGJZJQYYNJRD-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175083255
6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 71269733
(6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)methanamine
CID 83907573
5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]
CID 90866317
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129284661
N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
CID 149164710
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845
spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine
CID 112714489
[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 63630602

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine?
The IUPAC name of (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine (CID 123340415) is (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine.
What is the SMILES notation for (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine?
The canonical SMILES for (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine is NCC1c2cc(Br)ccc2CC12CCC(F)(F)CC2.
What is the InChIKey of (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine?
The InChIKey is FOYGJZJQYYNJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N/c16-11-2-1-10-8-14(13(9-19)12(10)7-11)3-5-15(17,18)6-4-14/h1-2,7,13H,3-6,8-9,19H2.
What are the key properties of (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine?
(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine has a molecular weight of 330.22 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine is sourced from PubChem (CID 123340415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).