1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol

C13H18F2N2O — CID 107933036

IUPAC1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C13H18F2N2O/c1-8(18)10-4-5-17(7-10)11-3-2-9(6-16)12(14)13(11)15/h2-3,8,10,18H,4-7,16H2,1H3
InChIKeyODRAYPBIQZMISA-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.63
Rot. Bonds3

About 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol (PubChem CID 107933036) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
PubChem CID107933036
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C13H18F2N2O/c1-8(18)10-4-5-17(7-10)11-3-2-9(6-16)12(14)13(11)15/h2-3,8,10,18H,4-7,16H2,1H3
InChIKeyODRAYPBIQZMISA-UHFFFAOYSA-N
XLogP1.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
2,3-difluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzonitrile
CID 114017754
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112624325
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 107932981
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 107532368

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol (CID 107933036) is 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc(CN)c(F)c2F)C1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ODRAYPBIQZMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(18)10-4-5-17(7-10)11-3-2-9(6-16)12(14)13(11)15/h2-3,8,10,18H,4-7,16H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 107933036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).