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

C14H18FNOS — CID 114710439

IUPAC6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
SMILESCNC1CC2(CCSCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNOS/c1-16-12-9-14(4-6-18-7-5-14)17-13-3-2-10(15)8-11(12)13/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyATRXFZAGUPQLET-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.13
Rot. Bonds1

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

6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine (PubChem CID 114710439) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
PubChem CID114710439
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
SMILESCNC1CC2(CCSCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNOS/c1-16-12-9-14(4-6-18-7-5-14)17-13-3-2-10(15)8-11(12)13/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyATRXFZAGUPQLET-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710536
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
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
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713668
6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
CID 114710604
N,6,7-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462713
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825158

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine?
The IUPAC name of 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine (CID 114710439) is 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine.
What is the SMILES notation for 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine?
The canonical SMILES for 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine is CNC1CC2(CCSCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine?
The InChIKey is ATRXFZAGUPQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-16-12-9-14(4-6-18-7-5-14)17-13-3-2-10(15)8-11(12)13/h2-3,8,12,16H,4-7,9H2,1H3.
What are the key properties of 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine?
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine has a molecular weight of 267.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine is sourced from PubChem (CID 114710439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).