6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24BrNO — CID 114713407

IUPAC6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2C)Oc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-8-7-13(18)10-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3
InChIKeyRCDZZRJPYHJKPF-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.83
Rot. Bonds2

About 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713407) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713407
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2C)Oc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-8-7-13(18)10-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3
InChIKeyRCDZZRJPYHJKPF-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713407) is 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCCCC2C)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is RCDZZRJPYHJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-19-15-11-17(9-5-4-6-12(17)2)20-16-8-7-13(18)10-14(15)16/h7-8,10,12,15,19H,3-6,9,11H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).