(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine

C15H21NO2 — CID 178102740

IUPAC(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
SMILESCOc1cccc2c1[C@H](C[C@H]1CCCN1C)CO2
InChIInChI=1S/C15H21NO2/c1-16-8-4-5-12(16)9-11-10-18-14-7-3-6-13(17-2)15(11)14/h3,6-7,11-12H,4-5,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyAPGSRNGUTMIKDJ-VXGBXAGGSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds3

About (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine

(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine (PubChem CID 178102740) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
PubChem CID178102740
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
SMILESCOc1cccc2c1[C@H](C[C@H]1CCCN1C)CO2
InChIInChI=1S/C15H21NO2/c1-16-8-4-5-12(16)9-11-10-18-14-7-3-6-13(17-2)15(11)14/h3,6-7,11-12H,4-5,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyAPGSRNGUTMIKDJ-VXGBXAGGSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102701
1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
CID 89080572
(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102711
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
(6aS)-1-methoxy-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzoxazepine
CID 71049810
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine (CID 178102740) is (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine is COc1cccc2c1[C@H](C[C@H]1CCCN1C)CO2.
What is the InChIKey of (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine?
The InChIKey is APGSRNGUTMIKDJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-8-4-5-12(16)9-11-10-18-14-7-3-6-13(17-2)15(11)14/h3,6-7,11-12H,4-5,8-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine?
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).