6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24FNO — CID 114710448

IUPAC6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCC(C)C(C)C2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-11-6-7-17(9-12(11)2)10-15(19-3)14-8-13(18)4-5-16(14)20-17/h4-5,8,11-12,15,19H,6-7,9-10H2,1-3H3
InChIKeyUIVPCEAUOGXAEH-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.06
Rot. Bonds1

About 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114710448) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114710448
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCC(C)C(C)C2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-11-6-7-17(9-12(11)2)10-15(19-3)14-8-13(18)4-5-16(14)20-17/h4-5,8,11-12,15,19H,6-7,9-10H2,1-3H3
InChIKeyUIVPCEAUOGXAEH-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710536
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713668
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114710448) is 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CNC1CC2(CCC(C)C(C)C2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is UIVPCEAUOGXAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-11-6-7-17(9-12(11)2)10-15(19-3)14-8-13(18)4-5-16(14)20-17/h4-5,8,11-12,15,19H,6-7,9-10H2,1-3H3.
What are the key properties of 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 277.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114710448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).