1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol

C12H16F2N2O — CID 112624251

IUPAC1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)cc(F)c2N)C1
InChIInChI=1S/C12H16F2N2O/c1-7(17)8-2-3-16(6-8)11-5-9(13)4-10(14)12(11)15/h4-5,7-8,17H,2-3,6,15H2,1H3
InChIKeyXVMWPWMWOFXNQD-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.75
Rot. Bonds2

About 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol

1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 112624251) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
PubChem CID112624251
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)cc(F)c2N)C1
InChIInChI=1S/C12H16F2N2O/c1-7(17)8-2-3-16(6-8)11-5-9(13)4-10(14)12(11)15/h4-5,7-8,17H,2-3,6,15H2,1H3
InChIKeyXVMWPWMWOFXNQD-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 112624228
2-(4-ethyl-3-methylpiperazin-1-yl)-4,6-difluoroaniline
CID 115507002
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 112627290
1-[1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 103553396

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol (CID 112624251) is 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cc(F)cc(F)c2N)C1.
What is the InChIKey of 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is XVMWPWMWOFXNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7(17)8-2-3-16(6-8)11-5-9(13)4-10(14)12(11)15/h4-5,7-8,17H,2-3,6,15H2,1H3.
What are the key properties of 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).