3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine

C14H20FNO — CID 71041197

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1CC(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyCMHYBHOKQBYHQD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine

3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (PubChem CID 71041197) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
PubChem CID71041197
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1CC(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyCMHYBHOKQBYHQD-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine 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,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
CID 58601309
(3R,4S)-4-(4-fluorophenyl)-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 133115881
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3S)-4-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 71041194
(3R,4S)-3-(4-chlorophenyl)-1-(2-methoxyethyl)-4-nitropyrrolidine
CID 118128480
(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 144628995
1-(2-methoxyethyl)-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine;dihydrochloride
CID 89188767
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
CID 97062909
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
CID 57077875
(3S,4R)-4-(4-fluorophenyl)-1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 70747428

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (CID 71041197) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is COCCN1CC(C)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The InChIKey is CMHYBHOKQBYHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is sourced from PubChem (CID 71041197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).