1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol

C15H23FN2O2 — CID 106669966

IUPAC1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
SMILESCCCNC(C)c1ccc(N2CC(O)C(O)C2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-3-6-17-10(2)11-4-5-13(12(16)7-11)18-8-14(19)15(20)9-18/h4-5,7,10,14-15,17,19-20H,3,6,8-9H2,1-2H3
InChIKeyUKSMWQVHTQOSKT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol

1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol (PubChem CID 106669966) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
PubChem CID106669966
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
SMILESCCCNC(C)c1ccc(N2CC(O)C(O)C2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-3-6-17-10(2)11-4-5-13(12(16)7-11)18-8-14(19)15(20)9-18/h4-5,7,10,14-15,17,19-20H,3,6,8-9H2,1-2H3
InChIKeyUKSMWQVHTQOSKT-UHFFFAOYSA-N
XLogP1.43
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol 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-[2-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106670009
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 114410288
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
N-[1-[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethyl]propan-1-amine
CID 64598754
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356559
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol (CID 106669966) is 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol is CCCNC(C)c1ccc(N2CC(O)C(O)C2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol?
The InChIKey is UKSMWQVHTQOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-6-17-10(2)11-4-5-13(12(16)7-11)18-8-14(19)15(20)9-18/h4-5,7,10,14-15,17,19-20H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol?
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol has a molecular weight of 282.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106669966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).