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

C17H24FNO — CID 114710437

IUPAC6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
SMILESCNC1CC2(CCC(C)(C)CC2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-16(2)6-8-17(9-7-16)11-14(19-3)13-10-12(18)4-5-15(13)20-17/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyWVEPNPQZPVYSJP-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.21
Rot. Bonds1

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

6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine (PubChem CID 114710437) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
PubChem CID114710437
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
SMILESCNC1CC2(CCC(C)(C)CC2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-16(2)6-8-17(9-7-16)11-14(19-3)13-10-12(18)4-5-15(13)20-17/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyWVEPNPQZPVYSJP-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
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
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713668
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
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
6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
CID 114710604
N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462731
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The IUPAC name of 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine (CID 114710437) is 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine.
What is the SMILES notation for 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The canonical SMILES for 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine is CNC1CC2(CCC(C)(C)CC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The InChIKey is WVEPNPQZPVYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-16(2)6-8-17(9-7-16)11-14(19-3)13-10-12(18)4-5-15(13)20-17/h4-5,10,14,19H,6-9,11H2,1-3H3.
What are the key properties of 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine has a molecular weight of 277.38 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine is sourced from PubChem (CID 114710437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).