(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine

C20H24FNO2 — CID 141409684

IUPAC(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1CCCOc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c1-16-4-2-13-22(16)14-3-15-23-18-9-11-20(12-10-18)24-19-7-5-17(21)6-8-19/h5-12,16H,2-4,13-15H2,1H3/t16-/m1/s1
InChIKeyKECHNBDMFWTGBD-MRXNPFEDSA-N
MW329.42 g/mol
LogP4.87
Rot. Bonds7

About (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine

(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine (PubChem CID 141409684) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
PubChem CID141409684
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1CCCOc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c1-16-4-2-13-22(16)14-3-15-23-18-9-11-20(12-10-18)24-19-7-5-17(21)6-8-19/h5-12,16H,2-4,13-15H2,1H3/t16-/m1/s1
InChIKeyKECHNBDMFWTGBD-MRXNPFEDSA-N
XLogP4.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-[(2R)-2-[(2R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346776
(5S)-5-[(4-fluorophenoxy)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16662783
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
CID 123180187
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
CID 67623117
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
(4-fluorophenyl) 4-[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
CID 77446957
(4-fluorophenyl) 3-methyl-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazole-4-carboxylate
CID 174603905
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine (CID 141409684) is (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine is C[C@@H]1CCCN1CCCOc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine?
The InChIKey is KECHNBDMFWTGBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-16-4-2-13-22(16)14-3-15-23-18-9-11-20(12-10-18)24-19-7-5-17(21)6-8-19/h5-12,16H,2-4,13-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine?
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine has a molecular weight of 329.42 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine is sourced from PubChem (CID 141409684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).