1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine

C13H18FNO2 — CID 168515741

IUPAC1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine
SMILESCOC(OC)c1ccc(F)c(N2CCCC2)c1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)10-5-6-11(14)12(9-10)15-7-3-4-8-15/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyNHLBAHLNYGXHKI-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.72
Rot. Bonds4

About 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine

1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine (PubChem CID 168515741) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine
PubChem CID168515741
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine
SMILESCOC(OC)c1ccc(F)c(N2CCCC2)c1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)10-5-6-11(14)12(9-10)15-7-3-4-8-15/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyNHLBAHLNYGXHKI-UHFFFAOYSA-N
XLogP2.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine 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-(2,5-difluorophenyl)piperidine
CID 22638080
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
3-(azetidin-1-yl)-4-fluoroaniline
CID 131275166
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-cyclobutyl-4-(dimethoxymethyl)-2-fluorobenzene
CID 165139197
4-amino-5-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331417
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
2-(4-fluoro-3-piperidin-1-ylphenoxy)ethanol
CID 159290712
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
CID 59540946

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine?
The IUPAC name of 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine (CID 168515741) is 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine.
What is the SMILES notation for 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine?
The canonical SMILES for 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine is COC(OC)c1ccc(F)c(N2CCCC2)c1.
What is the InChIKey of 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine?
The InChIKey is NHLBAHLNYGXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13(17-2)10-5-6-11(14)12(9-10)15-7-3-4-8-15/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine?
1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine has a molecular weight of 239.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethoxymethyl)-2-fluorophenyl]pyrrolidine is sourced from PubChem (CID 168515741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).