2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]

C22H31NO2 — CID 166374362

IUPAC2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]
SMILESCC1Cc2cc(CN3CC(C)(C)OC4(CC5CCC4C5)C3)ccc2O1
InChIInChI=1S/C22H31NO2/c1-15-8-18-9-17(5-7-20(18)24-15)12-23-13-21(2,3)25-22(14-23)11-16-4-6-19(22)10-16/h5,7,9,15-16,19H,4,6,8,10-14H2,1-3H3
InChIKeyRBJHIPDAACJKCD-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.18
Rot. Bonds2

About 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]

2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] (PubChem CID 166374362) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine].

Molecular Properties

Compound Name2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]
PubChem CID166374362
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]
SMILESCC1Cc2cc(CN3CC(C)(C)OC4(CC5CCC4C5)C3)ccc2O1
InChIInChI=1S/C22H31NO2/c1-15-8-18-9-17(5-7-20(18)24-15)12-23-13-21(2,3)25-22(14-23)11-16-4-6-19(22)10-16/h5,7,9,15-16,19H,4,6,8,10-14H2,1-3H3
InChIKeyRBJHIPDAACJKCD-UHFFFAOYSA-N
XLogP4.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]?
The IUPAC name of 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] (CID 166374362) is 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine].
What is the SMILES notation for 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]?
The canonical SMILES for 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] is CC1Cc2cc(CN3CC(C)(C)OC4(CC5CCC4C5)C3)ccc2O1.
What is the InChIKey of 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]?
The InChIKey is RBJHIPDAACJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15-8-18-9-17(5-7-20(18)24-15)12-23-13-21(2,3)25-22(14-23)11-16-4-6-19(22)10-16/h5,7,9,15-16,19H,4,6,8,10-14H2,1-3H3.
What are the key properties of 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine]?
2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] has a molecular weight of 341.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethyl-4'-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[bicyclo[2.2.1]heptane-2,6'-morpholine] is sourced from PubChem (CID 166374362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).