1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine

C14H20FNO — CID 138715323

IUPAC1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine
SMILESCCc1ccc(CN2CC(F)C(OC)C2)cc1
InChIInChI=1S/C14H20FNO/c1-3-11-4-6-12(7-5-11)8-16-9-13(15)14(10-16)17-2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyIBJKYUHIEOYBJE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.42
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine

1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine (PubChem CID 138715323) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine
PubChem CID138715323
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine
SMILESCCc1ccc(CN2CC(F)C(OC)C2)cc1
InChIInChI=1S/C14H20FNO/c1-3-11-4-6-12(7-5-11)8-16-9-13(15)14(10-16)17-2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyIBJKYUHIEOYBJE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
3-[4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537557
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 103537531
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
2-bromo-5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]aniline
CID 103531057
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
(3aS,5R,6R,7aR)-6-methoxy-N,N-dimethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 172670141
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine (CID 138715323) is 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine is CCc1ccc(CN2CC(F)C(OC)C2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine?
The InChIKey is IBJKYUHIEOYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-11-4-6-12(7-5-11)8-16-9-13(15)14(10-16)17-2/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine?
1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine is sourced from PubChem (CID 138715323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).