(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol

C12H17FN2O — CID 126847066

IUPAC(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c13-10-3-1-9(2-4-10)5-6-15-11-7-14-8-12(11)16/h1-4,11-12,14-16H,5-8H2/t11-,12-/m1/s1
InChIKeyLRVWRKBMGGKQIM-VXGBXAGGSA-N
MW224.28 g/mol
LogP0.29
Rot. Bonds4

About (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol

(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol (PubChem CID 126847066) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol
PubChem CID126847066
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c13-10-3-1-9(2-4-10)5-6-15-11-7-14-8-12(11)16/h1-4,11-12,14-16H,5-8H2/t11-,12-/m1/s1
InChIKeyLRVWRKBMGGKQIM-VXGBXAGGSA-N
XLogP0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]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

Related Compounds

(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739931
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
4-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 66671060
tert-butyl (3R,4R)-3-[2-(4-fluorophenyl)ethylamino]-4-hydroxypyrrolidine-1-carboxylate
CID 126846366
N-[2-(4-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665339
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol (CID 126847066) is (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NCCc1ccc(F)cc1.
What is the InChIKey of (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol?
The InChIKey is LRVWRKBMGGKQIM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-3-1-9(2-4-10)5-6-15-11-7-14-8-12(11)16/h1-4,11-12,14-16H,5-8H2/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol?
(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol is sourced from PubChem (CID 126847066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).