2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine

C18H21NO2 — CID 117455663

IUPAC2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine
SMILESCc1cc2c(C3(C)CCCN3)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C18H21NO2/c1-10-8-13-12(3)16-14(9-11(2)20-16)15(17(13)21-10)18(4)6-5-7-19-18/h8-9,19H,5-7H2,1-4H3
InChIKeyDHKMBFSEXUUXGP-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.70
Rot. Bonds1

About 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine

2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine (PubChem CID 117455663) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine
PubChem CID117455663
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine
SMILESCc1cc2c(C3(C)CCCN3)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C18H21NO2/c1-10-8-13-12(3)16-14(9-11(2)20-16)15(17(13)21-10)18(4)6-5-7-19-18/h8-9,19H,5-7H2,1-4H3
InChIKeyDHKMBFSEXUUXGP-UHFFFAOYSA-N
XLogP4.70
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
CID 117391420
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
CID 117308417
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117387308
2-methyl-2-(5-methylfuran-2-yl)piperidine
CID 117271321
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
3-chloro-5-methyl-4-(2-methylpyrrolidin-2-yl)benzene-1,2-diol
CID 117356258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine?
The IUPAC name of 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine (CID 117455663) is 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine is Cc1cc2c(C3(C)CCCN3)c3oc(C)cc3c(C)c2o1.
What is the InChIKey of 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine?
The InChIKey is DHKMBFSEXUUXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-10-8-13-12(3)16-14(9-11(2)20-16)15(17(13)21-10)18(4)6-5-7-19-18/h8-9,19H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine?
2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine has a molecular weight of 283.37 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine is sourced from PubChem (CID 117455663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).