7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C15H20FNO2 — CID 114710301

IUPAC7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CC(C)O1)CC(N)c1ccc(F)cc1O2
InChIInChI=1S/C15H20FNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3
InChIKeyCGUPTLPHZLWIHV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.93
Rot. Bonds

About 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114710301) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114710301
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CC(C)O1)CC(N)c1ccc(F)cc1O2
InChIInChI=1S/C15H20FNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3
InChIKeyCGUPTLPHZLWIHV-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947698
(4S)-7-fluoro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947626
(4R)-7-fluoro-3'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875207
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104947934
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114710301) is 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CC1CC2(CC(C)O1)CC(N)c1ccc(F)cc1O2.
What is the InChIKey of 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is CGUPTLPHZLWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3.
What are the key properties of 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 265.33 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114710301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).