[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

C13H17FN2O — CID 153381353

IUPAC[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESNCCc1ccc(C(=O)N2CC[C@@H](F)C2)cc1
InChIInChI=1S/C13H17FN2O/c14-12-6-8-16(9-12)13(17)11-3-1-10(2-4-11)5-7-15/h1-4,12H,5-9,15H2/t12-/m1/s1
InChIKeyGMWKESBSLHSPOO-GFCCVEGCSA-N
MW236.29 g/mol
LogP1.37
Rot. Bonds3

About [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 153381353) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID153381353
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESNCCc1ccc(C(=O)N2CC[C@@H](F)C2)cc1
InChIInChI=1S/C13H17FN2O/c14-12-6-8-16(9-12)13(17)11-3-1-10(2-4-11)5-7-15/h1-4,12H,5-9,15H2/t12-/m1/s1
InChIKeyGMWKESBSLHSPOO-GFCCVEGCSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone 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

(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
CID 81120282
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
2-[1-[4-(2-aminoethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605400
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[4-(2-aminoethyl)phenyl]-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159649
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
CID 171558301
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (CID 153381353) is [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is NCCc1ccc(C(=O)N2CC[C@@H](F)C2)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is GMWKESBSLHSPOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-6-8-16(9-12)13(17)11-3-1-10(2-4-11)5-7-15/h1-4,12H,5-9,15H2/t12-/m1/s1.
What are the key properties of [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 236.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 153381353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).