(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine

C16H22N2O2 — CID 105366453

IUPAC(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CCN3CCC1C3)O2
InChIInChI=1S/C16H22N2O2/c1-19-12-2-3-15-13(8-12)14(17)9-16(20-15)5-7-18-6-4-11(16)10-18/h2-3,8,11,14H,4-7,9-10,17H2,1H3/t11?,14-,16?/m1/s1
InChIKeyADGOUCFZASAMPB-OFWKBQFLSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds1

About (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine

(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine (PubChem CID 105366453) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine.

Molecular Properties

Compound Name(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
PubChem CID105366453
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CCN3CCC1C3)O2
InChIInChI=1S/C16H22N2O2/c1-19-12-2-3-15-13(8-12)14(17)9-16(20-15)5-7-18-6-4-11(16)10-18/h2-3,8,11,14H,4-7,9-10,17H2,1H3/t11?,14-,16?/m1/s1
InChIKeyADGOUCFZASAMPB-OFWKBQFLSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine with MolForge

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Related Compounds

(4'R)-7'-fluorospiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
CID 105366461
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104947093
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
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
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976

Frequently Asked Questions

What is the IUPAC name of (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine?
The IUPAC name of (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine (CID 105366453) is (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine.
What is the SMILES notation for (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine?
The canonical SMILES for (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine is COc1ccc2c(c1)[C@H](N)CC1(CCN3CCC1C3)O2.
What is the InChIKey of (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine?
The InChIKey is ADGOUCFZASAMPB-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-12-2-3-15-13(8-12)14(17)9-16(20-15)5-7-18-6-4-11(16)10-18/h2-3,8,11,14H,4-7,9-10,17H2,1H3/t11?,14-,16?/m1/s1.
What are the key properties of (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine?
(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine has a molecular weight of 274.36 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine is sourced from PubChem (CID 105366453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).