1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine

C14H20FNO2 — CID 135155342

IUPAC1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
SMILESCOc1cccc(F)c1OCCCN1CCCC1
InChIInChI=1S/C14H20FNO2/c1-17-13-7-4-6-12(15)14(13)18-11-5-10-16-8-2-3-9-16/h4,6-7H,2-3,5,8-11H2,1H3
InChIKeyBTOUWRWFDLMTTR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.70
Rot. Bonds6

About 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine

1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine (PubChem CID 135155342) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
PubChem CID135155342
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
SMILESCOc1cccc(F)c1OCCCN1CCCC1
InChIInChI=1S/C14H20FNO2/c1-17-13-7-4-6-12(15)14(13)18-11-5-10-16-8-2-3-9-16/h4,6-7H,2-3,5,8-11H2,1H3
InChIKeyBTOUWRWFDLMTTR-UHFFFAOYSA-N
XLogP2.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.70
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

1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzenecarbothioamide
CID 22687601
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine (CID 135155342) is 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine is COc1cccc(F)c1OCCCN1CCCC1.
What is the InChIKey of 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine?
The InChIKey is BTOUWRWFDLMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-7-4-6-12(15)14(13)18-11-5-10-16-8-2-3-9-16/h4,6-7H,2-3,5,8-11H2,1H3.
What are the key properties of 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine?
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 135155342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).