1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine

C19H22FNO2 — CID 67648645

IUPAC1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine
SMILESCCN1CC(OCc2ccc(F)cc2)CC1Oc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-21-13-18(22-14-15-8-10-16(20)11-9-15)12-19(21)23-17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3
InChIKeyDLLBIVFOSSHBML-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.84
Rot. Bonds6

About 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine

1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine (PubChem CID 67648645) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine
PubChem CID67648645
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine
SMILESCCN1CC(OCc2ccc(F)cc2)CC1Oc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-21-13-18(22-14-15-8-10-16(20)11-9-15)12-19(21)23-17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3
InChIKeyDLLBIVFOSSHBML-UHFFFAOYSA-N
XLogP3.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
CID 53034648
(2R,4S)-4-[(4-fluorophenyl)methoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 176761437
1-(1,1-diiodoethoxy)-3-(3-phenylmethoxycyclobutyl)oxybenzene
CID 163688730
(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
CID 130275873
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine (CID 67648645) is 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine is CCN1CC(OCc2ccc(F)cc2)CC1Oc1ccccc1.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine?
The InChIKey is DLLBIVFOSSHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-21-13-18(22-14-15-8-10-16(20)11-9-15)12-19(21)23-17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3.
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine?
1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine has a molecular weight of 315.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine is sourced from PubChem (CID 67648645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).