(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine

C16H21NO2 — CID 104947093

IUPAC(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H21NO2/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14H,2-3,6,8-9,17H2,1H3/t10?,11?,14-,16?/m1/s1
InChIKeyOTUZENZTFWQWHG-RAGRTDQJSA-N
MW259.35 g/mol
LogP3.04
Rot. Bonds1

About (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine

(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine (PubChem CID 104947093) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine.

Molecular Properties

Compound Name(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
PubChem CID104947093
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H21NO2/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14H,2-3,6,8-9,17H2,1H3/t10?,11?,14-,16?/m1/s1
InChIKeyOTUZENZTFWQWHG-RAGRTDQJSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
CID 114715429
(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104946484
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
CID 105366453
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114709895
(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946851
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The IUPAC name of (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine (CID 104947093) is (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine.
What is the SMILES notation for (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The canonical SMILES for (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine is COc1ccc2c(c1)[C@H](N)CC1(CC3CCC1C3)O2.
What is the InChIKey of (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The InChIKey is OTUZENZTFWQWHG-RAGRTDQJSA-N. The full InChI is InChI=1S/C16H21NO2/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14H,2-3,6,8-9,17H2,1H3/t10?,11?,14-,16?/m1/s1.
What are the key properties of (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine is sourced from PubChem (CID 104947093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).