N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24FNO — CID 114713826

IUPACN-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2C)Oc2cc(F)ccc21
InChIInChI=1S/C17H24FNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-10-13(18)7-8-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3
InChIKeyADBQTNDHVGYPPA-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.21
Rot. Bonds2

About N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713826) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713826
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2C)Oc2cc(F)ccc21
InChIInChI=1S/C17H24FNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-10-13(18)7-8-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3
InChIKeyADBQTNDHVGYPPA-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713826) is N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCCCC2C)Oc2cc(F)ccc21.
What is the InChIKey of N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is ADBQTNDHVGYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-10-13(18)7-8-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3.
What are the key properties of N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 277.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).