3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C14H19NO3 — CID 106825079

IUPAC3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CC(OC)C1)CC2N
InChIInChI=1S/C14H19NO3/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyKWTKQOVKGQSBOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds2

About 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825079) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825079
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CC(OC)C1)CC2N
InChIInChI=1S/C14H19NO3/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyKWTKQOVKGQSBOU-UHFFFAOYSA-N
XLogP2.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
(4R)-7-fluoro-3'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875207
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780

Frequently Asked Questions

What is the IUPAC name of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825079) is 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is COc1ccc2c(c1)OC1(CC(OC)C1)CC2N.
What is the InChIKey of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is KWTKQOVKGQSBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12H,6-8,15H2,1-2H3.
What are the key properties of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).