2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine

C15H21NO — CID 64686696

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21NO/c1-10-7-8-16-13(10)12-6-4-5-11-9-15(2,3)17-14(11)12/h4-6,10,13,16H,7-9H2,1-3H3
InChIKeyKFVFZBTVGFIFDZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.07
Rot. Bonds1

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine (PubChem CID 64686696) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
PubChem CID64686696
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21NO/c1-10-7-8-16-13(10)12-6-4-5-11-9-15(2,3)17-14(11)12/h4-6,10,13,16H,7-9H2,1-3H3
InChIKeyKFVFZBTVGFIFDZ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
CID 58035595
3-Methyl-1-(2-propoxyphenyl)butan-1-amine
CID 72040222
2-(2-Methoxyphenyl)pyrrolidine
CID 3613985
(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28063033
N-((2,3-dihydro-1-benzofuran-5-yl)methyl)cyclopentanamine
CID 43803961
6-[(3aR,9bS)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]hexan-1-amine
CID 10636075
2-(2-Ethoxyphenyl)pyrrolidine
CID 4426164
1-(2-Ethoxyphenyl)-3-methylbutan-1-amine
CID 60211512
3-(2,6-dimethylphenoxy)-N-(1-phenylethyl)propan-1-amine
CID 122574293
N-benzyl-3-(2,6-dimethylphenoxy)propan-1-amine
CID 122574299
I.S. 2983
CID 56350

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine (CID 64686696) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine is CC1CCNC1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine?
The InChIKey is KFVFZBTVGFIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-7-8-16-13(10)12-6-4-5-11-9-15(2,3)17-14(11)12/h4-6,10,13,16H,7-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.07, 1 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)-3-methylpyrrolidine is sourced from PubChem (CID 64686696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).