1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol

C16H24F2N2O — CID 62991182

IUPAC1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
SMILESCC(CNCC(O)c1ccc(F)c(F)c1)CN1CCCC1
InChIInChI=1S/C16H24F2N2O/c1-12(11-20-6-2-3-7-20)9-19-10-16(21)13-4-5-14(17)15(18)8-13/h4-5,8,12,16,19,21H,2-3,6-7,9-11H2,1H3
InChIKeyUATWBMGTHIVKRF-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.32
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol

1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol (PubChem CID 62991182) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
PubChem CID62991182
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
SMILESCC(CNCC(O)c1ccc(F)c(F)c1)CN1CCCC1
InChIInChI=1S/C16H24F2N2O/c1-12(11-20-6-2-3-7-20)9-19-10-16(21)13-4-5-14(17)15(18)8-13/h4-5,8,12,16,19,21H,2-3,6-7,9-11H2,1H3
InChIKeyUATWBMGTHIVKRF-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
2-fluoro-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 106700025

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol (CID 62991182) is 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol is CC(CNCC(O)c1ccc(F)c(F)c1)CN1CCCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol?
The InChIKey is UATWBMGTHIVKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-12(11-20-6-2-3-7-20)9-19-10-16(21)13-4-5-14(17)15(18)8-13/h4-5,8,12,16,19,21H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol?
1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol is sourced from PubChem (CID 62991182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).