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

C14H18FNO2 — CID 114708697

IUPAC6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CCO1)CC(N)c1cc(F)ccc1O2
InChIInChI=1S/C14H18FNO2/c1-9-7-14(4-5-17-9)8-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12H,4-5,7-8,16H2,1H3
InChIKeyOBYIEILJWBKKTK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.55
Rot. Bonds

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

6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114708697) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114708697
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CCO1)CC(N)c1cc(F)ccc1O2
InChIInChI=1S/C14H18FNO2/c1-9-7-14(4-5-17-9)8-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12H,4-5,7-8,16H2,1H3
InChIKeyOBYIEILJWBKKTK-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
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
(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 104944487
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710301
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114708697) is 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CC1CC2(CCO1)CC(N)c1cc(F)ccc1O2.
What is the InChIKey of 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is OBYIEILJWBKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-7-14(4-5-17-9)8-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12H,4-5,7-8,16H2,1H3.
What are the key properties of 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114708697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).