3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H23NO2 — CID 106875170

IUPAC3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCC(OC)C2)Oc2ccccc21
InChIInChI=1S/C16H23NO2/c1-17-14-11-16(9-5-6-12(10-16)18-2)19-15-8-4-3-7-13(14)15/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyANEFQLXIVMGKDI-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.06
Rot. Bonds2

About 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 106875170) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID106875170
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCC(OC)C2)Oc2ccccc21
InChIInChI=1S/C16H23NO2/c1-17-14-11-16(9-5-6-12(10-16)18-2)19-15-8-4-3-7-13(14)15/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyANEFQLXIVMGKDI-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 106875170) is 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CNC1CC2(CCCC(OC)C2)Oc2ccccc21.
What is the InChIKey of 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is ANEFQLXIVMGKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-14-11-16(9-5-6-12(10-16)18-2)19-15-8-4-3-7-13(14)15/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3.
What are the key properties of 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 261.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 106875170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).