2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol

C21H27FN2O — CID 111490262

IUPAC2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
SMILESCN(CC1CCN(Cc2ccccc2)C1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-23(16-21(25)19-7-9-20(22)10-8-19)13-18-11-12-24(15-18)14-17-5-3-2-4-6-17/h2-10,18,21,25H,11-16H2,1H3
InChIKeyFABYKLONFANGGE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.31
Rot. Bonds7

About 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol

2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 111490262) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID111490262
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
SMILESCN(CC1CCN(Cc2ccccc2)C1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-23(16-21(25)19-7-9-20(22)10-8-19)13-18-11-12-24(15-18)14-17-5-3-2-4-6-17/h2-10,18,21,25H,11-16H2,1H3
InChIKeyFABYKLONFANGGE-UHFFFAOYSA-N
XLogP3.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
CID 129342919
4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl-methylamino]butanenitrile
CID 96519503
3-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982772
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol (CID 111490262) is 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol is CN(CC1CCN(Cc2ccccc2)C1)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is FABYKLONFANGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-23(16-21(25)19-7-9-20(22)10-8-19)13-18-11-12-24(15-18)14-17-5-3-2-4-6-17/h2-10,18,21,25H,11-16H2,1H3.
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol?
2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 342.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 111490262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).