2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine

C15H20FNO — CID 82087172

IUPAC2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
SMILESNCCC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C15H20FNO/c16-12-3-4-14-13(9-12)11(5-8-17)10-15(18-14)6-1-2-7-15/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyCYQHMCMAKPYZPX-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.35
Rot. Bonds2

About 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine

2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine (PubChem CID 82087172) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
PubChem CID82087172
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
SMILESNCCC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C15H20FNO/c16-12-3-4-14-13(9-12)11(5-8-17)10-15(18-14)6-1-2-7-15/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyCYQHMCMAKPYZPX-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82089985
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462902
N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462731
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
5-bromo-6-chloro-4-N-[(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-diamine
CID 154872683

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The IUPAC name of 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine (CID 82087172) is 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine.
What is the SMILES notation for 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The canonical SMILES for 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine is NCCC1CC2(CCCC2)Oc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The InChIKey is CYQHMCMAKPYZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-12-3-4-14-13(9-12)11(5-8-17)10-15(18-14)6-1-2-7-15/h3-4,9,11H,1-2,5-8,10,17H2.
What are the key properties of 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine has a molecular weight of 249.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine is sourced from PubChem (CID 82087172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).