1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine

C20H22N2O2 — CID 141266678

IUPAC1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine
SMILESNc1ccc2c(c1)OCC21CN(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c21-14-7-8-17-19(10-14)24-13-20(17)12-22(11-15-4-3-9-23-15)18-6-2-1-5-16(18)20/h1-2,5-8,10,15H,3-4,9,11-13,21H2/t15-,20?/m1/s1
InChIKeyBKHARYKYKVEBOJ-IWPPFLRJSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds2

About 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine

1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine (PubChem CID 141266678) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine.

Molecular Properties

Compound Name1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine
PubChem CID141266678
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine
SMILESNc1ccc2c(c1)OCC21CN(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c21-14-7-8-17-19(10-14)24-13-20(17)12-22(11-15-4-3-9-23-15)18-6-2-1-5-16(18)20/h1-2,5-8,10,15H,3-4,9,11-13,21H2/t15-,20?/m1/s1
InChIKeyBKHARYKYKVEBOJ-IWPPFLRJSA-N
XLogP2.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]spiro[2H-indole-3,6'-4,7-dihydrofuro[3,2-g][1,3]benzodioxine]
CID 150951159
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 45280167
6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 67356544
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 150217407
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2,6-dihydrofuro[2,3-c]pyridine-3,3'-indole]-2',5-dione
CID 46832689
1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352565
(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid
CID 45280221
1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid
CID 67356223

Frequently Asked Questions

What is the IUPAC name of 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine?
The IUPAC name of 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine (CID 141266678) is 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine.
What is the SMILES notation for 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine?
The canonical SMILES for 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine is Nc1ccc2c(c1)OCC21CN(C[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine?
The InChIKey is BKHARYKYKVEBOJ-IWPPFLRJSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-14-7-8-17-19(10-14)24-13-20(17)12-22(11-15-4-3-9-23-15)18-6-2-1-5-16(18)20/h1-2,5-8,10,15H,3-4,9,11-13,21H2/t15-,20?/m1/s1.
What are the key properties of 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine?
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine has a molecular weight of 322.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine is sourced from PubChem (CID 141266678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).