1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol

C17H26N2O2 — CID 63165717

IUPAC1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
SMILESCOc1ccccc1C(O)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H26N2O2/c1-21-17-7-3-2-6-15(17)16(20)13-18-11-8-14(12-18)19-9-4-5-10-19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3
InChIKeyLBLTVPBTMXSBGC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol

1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol (PubChem CID 63165717) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
PubChem CID63165717
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
SMILESCOc1ccccc1C(O)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H26N2O2/c1-21-17-7-3-2-6-15(17)16(20)13-18-11-8-14(12-18)19-9-4-5-10-19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3
InChIKeyLBLTVPBTMXSBGC-UHFFFAOYSA-N
XLogP1.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 62231982
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
CID 22401530
4-[1-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]benzonitrile
CID 63169530

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol (CID 63165717) is 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol is COc1ccccc1C(O)CN1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The InChIKey is LBLTVPBTMXSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-17-7-3-2-6-15(17)16(20)13-18-11-8-14(12-18)19-9-4-5-10-19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 63165717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).