2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol

C18H27NO2 — CID 74247164

IUPAC2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H27NO2/c20-12-10-16-6-4-11-19(16)14-15-5-3-9-18(13-15)21-17-7-1-2-8-17/h3,5,9,13,16-17,20H,1-2,4,6-8,10-12,14H2
InChIKeyAABQBUNFYDJPBT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds6

About 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol

2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 74247164) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID74247164
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H27NO2/c20-12-10-16-6-4-11-19(16)14-15-5-3-9-18(13-15)21-17-7-1-2-8-17/h3,5,9,13,16-17,20H,1-2,4,6-8,10-12,14H2
InChIKeyAABQBUNFYDJPBT-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
CID 111111621
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 86272787
(3-cyclopropyloxyphenyl)methanol
CID 57336629

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol (CID 74247164) is 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol is OCCC1CCCN1Cc1cccc(OC2CCCC2)c1.
What is the InChIKey of 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is AABQBUNFYDJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-12-10-16-6-4-11-19(16)14-15-5-3-9-18(13-15)21-17-7-1-2-8-17/h3,5,9,13,16-17,20H,1-2,4,6-8,10-12,14H2.
What are the key properties of 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol?
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 289.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 74247164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).