(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol

C22H37FN2O2 — CID 155664438

IUPAC(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol
SMILESCC(OCCCCCCCCCC[C@H]1NC[C@H](N)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C22H37FN2O2/c1-17(18-11-13-19(23)14-12-18)27-15-9-7-5-3-2-4-6-8-10-21-22(26)20(24)16-25-21/h11-14,17,20-22,25-26H,2-10,15-16,24H2,1H3/t17?,20-,21+,22-/m0/s1
InChIKeyOPMQLBIYSLHEMZ-IFTBVCKDSA-N
MW380.55 g/mol
LogP4.07
Rot. Bonds13

About (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol

(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol (PubChem CID 155664438) has the molecular formula C22H37FN2O2 and a molecular weight of 380.55 g/mol. Its IUPAC name is (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol
PubChem CID155664438
Molecular FormulaC22H37FN2O2
Molecular Weight380.55 g/mol
Exact Mass380.28
IUPAC Name(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol
SMILESCC(OCCCCCCCCCC[C@H]1NC[C@H](N)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C22H37FN2O2/c1-17(18-11-13-19(23)14-12-18)27-15-9-7-5-3-2-4-6-8-10-21-22(26)20(24)16-25-21/h11-14,17,20-22,25-26H,2-10,15-16,24H2,1H3/t17?,20-,21+,22-/m0/s1
InChIKeyOPMQLBIYSLHEMZ-IFTBVCKDSA-N
XLogP4.07
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol?
The IUPAC name of (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol (CID 155664438) is (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol is CC(OCCCCCCCCCC[C@H]1NC[C@H](N)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol?
The InChIKey is OPMQLBIYSLHEMZ-IFTBVCKDSA-N. The full InChI is InChI=1S/C22H37FN2O2/c1-17(18-11-13-19(23)14-12-18)27-15-9-7-5-3-2-4-6-8-10-21-22(26)20(24)16-25-21/h11-14,17,20-22,25-26H,2-10,15-16,24H2,1H3/t17?,20-,21+,22-/m0/s1.
What are the key properties of (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol?
(2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol has a molecular weight of 380.55 g/mol, XLogP of 4.07, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-amino-2-[10-[1-(4-fluorophenyl)ethoxy]decyl]pyrrolidin-3-ol is sourced from PubChem (CID 155664438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).