6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C14H18BrNO2 — CID 106825150

IUPAC6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCNC1CC2(CC(OC)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c1-16-12-8-14(6-10(7-14)17-2)18-13-4-3-9(15)5-11(12)13/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyZZAYTCZZRUWIKI-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.04
Rot. Bonds2

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

6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825150) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825150
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCNC1CC2(CC(OC)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c1-16-12-8-14(6-10(7-14)17-2)18-13-4-3-9(15)5-11(12)13/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyZZAYTCZZRUWIKI-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825150) is 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CNC1CC2(CC(OC)C2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is ZZAYTCZZRUWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-16-12-8-14(6-10(7-14)17-2)18-13-4-3-9(15)5-11(12)13/h3-5,10,12,16H,6-8H2,1-2H3.
What are the key properties of 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 312.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).