1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol

C15H22FNO — CID 113246642

IUPAC1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-5-12-8-9-17(10-12)11-15(18)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,18H,2,5,8-11H2,1H3
InChIKeyDPSQQNPSFPHIHS-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol

1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol (PubChem CID 113246642) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
PubChem CID113246642
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-5-12-8-9-17(10-12)11-15(18)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,18H,2,5,8-11H2,1H3
InChIKeyDPSQQNPSFPHIHS-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
CID 111489054
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 115667609
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol (CID 113246642) is 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol is CCCC1CCN(CC(O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The InChIKey is DPSQQNPSFPHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-5-12-8-9-17(10-12)11-15(18)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,18H,2,5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 113246642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).