2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine

C18H27NO — CID 104688509

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc3c2OC(C)(C)C3)CCCN1
InChIInChI=1S/C18H27NO/c1-13(2)18(9-6-10-19-18)12-15-8-5-7-14-11-17(3,4)20-16(14)15/h5,7-8,13,19H,6,9-12H2,1-4H3
InChIKeyVJKNCDVWEUVREX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 104688509) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID104688509
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc3c2OC(C)(C)C3)CCCN1
InChIInChI=1S/C18H27NO/c1-13(2)18(9-6-10-19-18)12-15-8-5-7-14-11-17(3,4)20-16(14)15/h5,7-8,13,19H,6,9-12H2,1-4H3
InChIKeyVJKNCDVWEUVREX-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
CID 115058746
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine (CID 104688509) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2cccc3c2OC(C)(C)C3)CCCN1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is VJKNCDVWEUVREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)18(9-6-10-19-18)12-15-8-5-7-14-11-17(3,4)20-16(14)15/h5,7-8,13,19H,6,9-12H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 104688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).