2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol

C14H21NO2 — CID 117028471

IUPAC2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
SMILESCCOc1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C14H21NO2/c1-2-17-14-6-4-3-5-13(14)15-9-7-12(11-15)8-10-16/h3-6,12,16H,2,7-11H2,1H3
InChIKeySNIINMWXHSQWRU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

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

2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 117028471) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
PubChem CID117028471
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
SMILESCCOc1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C14H21NO2/c1-2-17-14-6-4-3-5-13(14)15-9-7-12(11-15)8-10-16/h3-6,12,16H,2,7-11H2,1H3
InChIKeySNIINMWXHSQWRU-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
CID 113416878
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796899
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol (CID 117028471) is 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol is CCOc1ccccc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is SNIINMWXHSQWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14-6-4-3-5-13(14)15-9-7-12(11-15)8-10-16/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117028471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).