2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine

C17H25NO — CID 104688384

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2ccc3c(c2)CCO3)CCCN1
InChIInChI=1S/C17H25NO/c1-13(2)11-17(7-3-8-18-17)12-14-4-5-16-15(10-14)6-9-19-16/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3
InChIKeyMFIDLDPDLKCQAA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.33
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 104688384) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID104688384
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2ccc3c(c2)CCO3)CCCN1
InChIInChI=1S/C17H25NO/c1-13(2)11-17(7-3-8-18-17)12-14-4-5-16-15(10-14)6-9-19-16/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3
InChIKeyMFIDLDPDLKCQAA-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608221
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine (CID 104688384) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(Cc2ccc3c(c2)CCO3)CCCN1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is MFIDLDPDLKCQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)11-17(7-3-8-18-17)12-14-4-5-16-15(10-14)6-9-19-16/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 259.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 104688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).