2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine

C14H20FNO — CID 58334510

IUPAC2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
SMILESCOC1CC(c2cccc(F)c2)N(C(C)C)C1
InChIInChI=1S/C14H20FNO/c1-10(2)16-9-13(17-3)8-14(16)11-5-4-6-12(15)7-11/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyLHHWAYDIERFNJJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine

2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine (PubChem CID 58334510) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
PubChem CID58334510
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
SMILESCOC1CC(c2cccc(F)c2)N(C(C)C)C1
InChIInChI=1S/C14H20FNO/c1-10(2)16-9-13(17-3)8-14(16)11-5-4-6-12(15)7-11/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyLHHWAYDIERFNJJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine 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

4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
Benzenemethanaminium, N-[2-(dodecyloxy)ethyl]-N,N-dimethyl-, chloride
CID 11965151
3-Benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
CID 3975713
Furfurylamine, tetrahydro-N-methyl-N-(alpha-methylphenethyl)-, hydrochloride, (+)-
CID 201371
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418
5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
Cambridge id 5346796
CID 2842697
Cambridge id 5417644
CID 5100175
(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
CID 12016357
(3S,3aS,7aR)-1-[(2-fluorophenyl)methyl]-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461483
(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 97470104
(2S,3R)-2-benzyl-3-methoxy-1-(2-methoxyethyl)pyrrolidine
CID 97470132

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine (CID 58334510) is 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine is COC1CC(c2cccc(F)c2)N(C(C)C)C1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine?
The InChIKey is LHHWAYDIERFNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)16-9-13(17-3)8-14(16)11-5-4-6-12(15)7-11/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine?
2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58334510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).