(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine

C23H27NO2 — CID 123754108

IUPAC(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine
SMILESC[C@@H]1CCN([C@@H](C)COc2ccc(C3C=Cc4ccccc4O3)cc2)C1
InChIInChI=1S/C23H27NO2/c1-17-13-14-24(15-17)18(2)16-25-21-10-7-20(8-11-21)23-12-9-19-5-3-4-6-22(19)26-23/h3-12,17-18,23H,13-16H2,1-2H3/t17-,18+,23?/m1/s1
InChIKeyYXWCSUCSJDAGND-BATLZEKGSA-N
MW349.47 g/mol
LogP4.94
Rot. Bonds5

About (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine

(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine (PubChem CID 123754108) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine
PubChem CID123754108
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine
SMILESC[C@@H]1CCN([C@@H](C)COc2ccc(C3C=Cc4ccccc4O3)cc2)C1
InChIInChI=1S/C23H27NO2/c1-17-13-14-24(15-17)18(2)16-25-21-10-7-20(8-11-21)23-12-9-19-5-3-4-6-22(19)26-23/h3-12,17-18,23H,13-16H2,1-2H3/t17-,18+,23?/m1/s1
InChIKeyYXWCSUCSJDAGND-BATLZEKGSA-N
XLogP4.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)propoxy]phenyl]-2H-chromen-3-yl]phenol
CID 126635973
(2S)-2-[4-[2-(4-methylazocan-1-yl)propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol;phenol
CID 142823258
3-(2,4-difluoro-3-hydroxyphenyl)-4-methyl-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-2H-chromen-6-ol
CID 54767430
[4-[6-hydroxy-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)propoxy]phenyl]-2H-chromen-3-yl]phenyl]methanesulfinate
CID 174685835
[4-[8-hydroxy-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)propoxy]phenyl]-2H-chromen-3-yl]phenyl]methanesulfinate
CID 174685815
3-(4-hydroxyphenyl)-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-4-(trifluoromethyl)-4H-chromen-6-ol
CID 89496758
4-fluoro-2-(4-hydroxyphenyl)-1-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-2,3-dihydro-1H-inden-5-ol
CID 54766262
(3S)-1-[(2R)-1-[4-[5-methoxy-2-(3-methoxyphenyl)-3H-inden-1-yl]phenoxy]propan-2-yl]-3-methylpyrrolidine
CID 123697708
trimethyl-[2-[4-[4-methyl-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-6-(oxan-2-yloxy)-2H-chromen-3-yl]phenyl]ethynyl]silane
CID 89497128
1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine
CID 123420173
2-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]propoxy]phenyl]-3-(4-fluorophenyl)-4-methyl-2H-chromen-6-ol
CID 138541461
(2S)-2-[4-[(2S)-2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]propoxy]phenyl]-3-(4-fluorophenyl)-4-methyl-2H-chromen-6-ol
CID 118364624

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine?
The IUPAC name of (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine (CID 123754108) is (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine.
What is the SMILES notation for (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine?
The canonical SMILES for (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine is C[C@@H]1CCN([C@@H](C)COc2ccc(C3C=Cc4ccccc4O3)cc2)C1.
What is the InChIKey of (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine?
The InChIKey is YXWCSUCSJDAGND-BATLZEKGSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17-13-14-24(15-17)18(2)16-25-21-10-7-20(8-11-21)23-12-9-19-5-3-4-6-22(19)26-23/h3-12,17-18,23H,13-16H2,1-2H3/t17-,18+,23?/m1/s1.
What are the key properties of (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine?
(3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine has a molecular weight of 349.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-[4-(2H-chromen-2-yl)phenoxy]propan-2-yl]-3-methylpyrrolidine is sourced from PubChem (CID 123754108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).